[(3S)-1-cycloheptylpiperidin-3-yl]methanol

C13H25NO — CID 40515498

IUPAC[(3S)-1-cycloheptylpiperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C13H25NO/c15-11-12-6-5-9-14(10-12)13-7-3-1-2-4-8-13/h12-13,15H,1-11H2/t12-/m0/s1
InChIKeyIPOQINQVMCCMMN-LBPRGKRZSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds2

About [(3S)-1-cycloheptylpiperidin-3-yl]methanol

[(3S)-1-cycloheptylpiperidin-3-yl]methanol (PubChem CID 40515498) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [(3S)-1-cycloheptylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-cycloheptylpiperidin-3-yl]methanol
PubChem CID40515498
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[(3S)-1-cycloheptylpiperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C13H25NO/c15-11-12-6-5-9-14(10-12)13-7-3-1-2-4-8-13/h12-13,15H,1-11H2/t12-/m0/s1
InChIKeyIPOQINQVMCCMMN-LBPRGKRZSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
3-(bromomethyl)-1-cyclohexylpiperidine
CID 82937353
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-3-yl]methanol
CID 104517008
1-cyclopentyl-3-(isocyanomethyl)piperidine
CID 84772498

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cycloheptylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-cycloheptylpiperidin-3-yl]methanol (CID 40515498) is [(3S)-1-cycloheptylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-cycloheptylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-cycloheptylpiperidin-3-yl]methanol is OC[C@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of [(3S)-1-cycloheptylpiperidin-3-yl]methanol?
The InChIKey is IPOQINQVMCCMMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-12-6-5-9-14(10-12)13-7-3-1-2-4-8-13/h12-13,15H,1-11H2/t12-/m0/s1.
What are the key properties of [(3S)-1-cycloheptylpiperidin-3-yl]methanol?
[(3S)-1-cycloheptylpiperidin-3-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cycloheptylpiperidin-3-yl]methanol is sourced from PubChem (CID 40515498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).