[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol

C12H23NO — CID 44558451

IUPAC[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyFZJBWLXAQMILRQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds3

About [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol

[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 44558451) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
PubChem CID44558451
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyFZJBWLXAQMILRQ-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 164656319
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol (CID 44558451) is [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol is OCC1CCN(CC2CCCCC2)C1.
What is the InChIKey of [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is FZJBWLXAQMILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h11-12,14H,1-10H2.
What are the key properties of [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 44558451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).