[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol

C13H25NO — CID 141033887

IUPAC[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCC1CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h12-13,15H,1-11H2/t13-/m0/s1
InChIKeyFXOHJNHIHLUINQ-ZDUSSCGKSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds4

About [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol (PubChem CID 141033887) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol
PubChem CID141033887
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCC1CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h12-13,15H,1-11H2/t13-/m0/s1
InChIKeyFXOHJNHIHLUINQ-ZDUSSCGKSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
1-[(2R)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 10103850
1-(1-Methylpyrrolidin-2-yl)cyclohexan-1-ol
CID 15758089
(2S)-2-cyclohexyl-2-(diethylamino)ethanol
CID 134969142
1-[(2S)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 134976082
[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
[1-[(3,3-Difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 114225058
(1-Cyclohexylpyrrolidin-2-yl)methanol
CID 13404763
(4-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 20579076
2-Methyl-1-(1-methylpyrrolidin-2-yl)propan-1-ol
CID 20668451
(1,3,4,5-Tetramethylpyrrolidin-2-yl)methanol
CID 23381771
(1R)-2-methyl-1-(1-methylpyrrolidin-2-yl)propan-1-ol
CID 53876145

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol (CID 141033887) is [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCC1CCCCC1.
What is the InChIKey of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is FXOHJNHIHLUINQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h12-13,15H,1-11H2/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141033887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).