(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol

C12H23NO — CID 97049022

IUPAC(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2)C1
InChIInChI=1S/C12H23NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1
InChIKeyOTTRXXKJZPYVOE-RHYQMDGZSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds1

About (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol

(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol (PubChem CID 97049022) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol
PubChem CID97049022
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2)C1
InChIInChI=1S/C12H23NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1
InChIKeyOTTRXXKJZPYVOE-RHYQMDGZSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

2-piperidin-2-ylcyclododecan-1-ol
CID 79560081
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
4,4-dimethyl-2-piperidin-2-ylcyclohexan-1-ol
CID 79559740
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
CID 25067678
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
(2R,5S)-2,4-dimethyl-5-piperidin-2-ylpiperidine
CID 166924001
(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
CID 83915124
2,2-dimethyl-5-piperidin-2-ylcyclopentan-1-ol
CID 79862786
2-pyrrolidin-2-ylpiperidine
CID 14810994

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol (CID 97049022) is (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2)C1.
What is the InChIKey of (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is OTTRXXKJZPYVOE-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol?
(1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-methyl-2-[(2S)-piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 97049022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).