2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol

C15H22ClNO — CID 90871387

IUPAC2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
SMILESCC(N1CCCCC1)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(17-10-4-3-5-11-17)15(2,18)13-6-8-14(16)9-7-13/h6-9,12,18H,3-5,10-11H2,1-2H3
InChIKeyLCXWCGMNOWMQME-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.42
Rot. Bonds3

About 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol

2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol (PubChem CID 90871387) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
PubChem CID90871387
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
SMILESCC(N1CCCCC1)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(17-10-4-3-5-11-17)15(2,18)13-6-8-14(16)9-7-13/h6-9,12,18H,3-5,10-11H2,1-2H3
InChIKeyLCXWCGMNOWMQME-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
CID 43830737
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66039095
4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride
CID 69172440
N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
CID 134994709
2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide
CID 57009579
N-[2-(4-chlorophenyl)propan-2-yl]azepane-1-carboxamide
CID 113216316
2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-piperidin-1-ylmethyl]phenol
CID 2129967
1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine
CID 70111550

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol (CID 90871387) is 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol is CC(N1CCCCC1)C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol?
The InChIKey is LCXWCGMNOWMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(17-10-4-3-5-11-17)15(2,18)13-6-8-14(16)9-7-13/h6-9,12,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol?
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol has a molecular weight of 267.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 90871387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).