2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H24ClNO — CID 114339702

IUPAC2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)12-19-11-3-5-16(19)15-4-1-2-6-17(15)20/h7-10,15-17,20H,1-6,11-12H2
InChIKeyHSKLLJDRUOVXTC-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.86
Rot. Bonds3

About 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339702) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339702
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)12-19-11-3-5-16(19)15-4-1-2-6-17(15)20/h7-10,15-17,20H,1-6,11-12H2
InChIKeyHSKLLJDRUOVXTC-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339551
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339176
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339702) is 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is HSKLLJDRUOVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-14-9-7-13(8-10-14)12-19-11-3-5-16(19)15-4-1-2-6-17(15)20/h7-10,15-17,20H,1-6,11-12H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 293.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).