[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol

C14H27NO — CID 40506920

IUPAC[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
SMILESCCC1CCC(N2CCC[C@H](CO)C2)CC1
InChIInChI=1S/C14H27NO/c1-2-12-5-7-14(8-6-12)15-9-3-4-13(10-15)11-16/h12-14,16H,2-11H2,1H3/t12?,13-,14?/m0/s1
InChIKeyDVMFNFWFUWAPQI-MOKVOYLWSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds3

About [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol

[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol (PubChem CID 40506920) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
PubChem CID40506920
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
SMILESCCC1CCC(N2CCC[C@H](CO)C2)CC1
InChIInChI=1S/C14H27NO/c1-2-12-5-7-14(8-6-12)15-9-3-4-13(10-15)11-16/h12-14,16H,2-11H2,1H3/t12?,13-,14?/m0/s1
InChIKeyDVMFNFWFUWAPQI-MOKVOYLWSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-ethylpiperidine
CID 76560892
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64749138
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
[1-(3-ethylcyclopentyl)piperidin-3-yl]methanamine
CID 64513588
1-(4-ethylcycloheptyl)azetidin-3-amine
CID 65244485
1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357
[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-3-yl]methanol
CID 104517008
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol (CID 40506920) is [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol is CCC1CCC(N2CCC[C@H](CO)C2)CC1.
What is the InChIKey of [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol?
The InChIKey is DVMFNFWFUWAPQI-MOKVOYLWSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-12-5-7-14(8-6-12)15-9-3-4-13(10-15)11-16/h12-14,16H,2-11H2,1H3/t12?,13-,14?/m0/s1.
What are the key properties of [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol?
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol is sourced from PubChem (CID 40506920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).