trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol

C13H25NO2 — CID 102732019

IUPACtrans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
SMILESCCOC1CCCN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO2/c1-2-16-11-6-5-9-14(10-11)12-7-3-4-8-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyNPOFHYPKDPPVGQ-SPOOISQMSA-N
MW227.35 g/mol
LogP1.79
Rot. Bonds3

About trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol (PubChem CID 102732019) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
PubChem CID102732019
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametrans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
SMILESCCOC1CCCN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO2/c1-2-16-11-6-5-9-14(10-11)12-7-3-4-8-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyNPOFHYPKDPPVGQ-SPOOISQMSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(4-ethoxypiperidin-1-yl)cyclopentan-1-ol
CID 102734432
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
CID 106588237
(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 59422481
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
CID 79642919
2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 54985301
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
CID 122235780

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol (CID 102732019) is trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol is CCOC1CCCN([C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is NPOFHYPKDPPVGQ-SPOOISQMSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-16-11-6-5-9-14(10-11)12-7-3-4-8-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102732019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).