(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol

C11H21NO — CID 46939140

IUPAC(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyVDZUZJSBDXUGNF-QWRGUYRKSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds2

About (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol

(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol (PubChem CID 46939140) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
PubChem CID46939140
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyVDZUZJSBDXUGNF-QWRGUYRKSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
3-Pyrrolidinol, 3-cyclohexyl-, hydrochloride
CID 3051561
1-Azaspiro(4.5)decan-4-ol
CID 53711419
{2-Azaspiro[4.5]decan-3-yl}methanol
CID 105434276
(2S,3R,4S,5R)-2,4-dibutyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71453640
2-(Pyrrolidin-2-yl)cyclohexan-1-ol
CID 79546692
1-Azaspiro[4.6]undecan-4-ol
CID 83827142
rac-(3R,4R)-3-cyclopentylpiperidin-4-ol
CID 96225681
1-Azaspiro[4.4]nonan-3-ol hydrochloride
CID 115015037
3-Cyclohexyl-3-pyrrolidinol
CID 3051562
1-Azaspiro[4.4]nonan-3-ol
CID 84731151
(3R)-5-[(4-fluorocyclohexyl)methyl]-3-methylpyrrolidine-2,4-diol
CID 143806370

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol (CID 46939140) is (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
The InChIKey is VDZUZJSBDXUGNF-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c13-11-8-12-7-10(11)6-9-4-2-1-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol?
(3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(cyclohexylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 46939140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).