Summary

IMPPAT Phytochemical identifier: IMPHY000024

Phytochemical name: (2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol

Synonymous chemical names:
halosaline

External chemical identifiers:
CID:10975943, ZINC:ZINC000015266836

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Chemical structure information

SMILES:
CCC[C@H](C[C@H]1CCCCN1)O

InChI:
InChI=1S/C10H21NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h9-12H,2-8H2,1H3/t9-,10-/m1/s1

InChIKey:
UNJGJWVJJMZDOT-NXEZZACHSA-N

DeepSMILES:
CCC[C@H]C[C@H]CCCCN6)))))))O

Functional groups:
CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids, Piperidine alkaloids

NP-Likeness score: 1.633

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Chemical structure download