2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

C16H22ClNO — CID 114339176

IUPAC2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-16,19H,2-3,6-9,11H2
InChIKeyDIQFXQUUEKXSCF-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.47
Rot. Bonds3

About 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339176) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339176
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-16,19H,2-3,6-9,11H2
InChIKeyDIQFXQUUEKXSCF-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339551
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434
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
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 161179572

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339176) is 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is DIQFXQUUEKXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-16,19H,2-3,6-9,11H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).