1-(3,4-dichlorophenyl)piperidin-3-ol

C11H13Cl2NO — CID 117012806

IUPAC1-(3,4-dichlorophenyl)piperidin-3-ol
SMILESOC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2NO/c12-10-4-3-8(6-11(10)13)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2
InChIKeySHVOOAFGGNANTC-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.95
Rot. Bonds1

About 1-(3,4-dichlorophenyl)piperidin-3-ol

1-(3,4-dichlorophenyl)piperidin-3-ol (PubChem CID 117012806) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)piperidin-3-ol
PubChem CID117012806
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name1-(3,4-dichlorophenyl)piperidin-3-ol
SMILESOC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2NO/c12-10-4-3-8(6-11(10)13)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2
InChIKeySHVOOAFGGNANTC-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
CID 68824740
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)piperidin-3-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)piperidin-3-ol (CID 117012806) is 1-(3,4-dichlorophenyl)piperidin-3-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)piperidin-3-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)piperidin-3-ol is OC1CCCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)piperidin-3-ol?
The InChIKey is SHVOOAFGGNANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-10-4-3-8(6-11(10)13)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2.
What are the key properties of 1-(3,4-dichlorophenyl)piperidin-3-ol?
1-(3,4-dichlorophenyl)piperidin-3-ol has a molecular weight of 246.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)piperidin-3-ol is sourced from PubChem (CID 117012806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).