1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol

C12H15Cl2NO — CID 677752

IUPAC1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8H2
InChIKeyDLTQYEPAQCPKMU-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol

1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol (PubChem CID 677752) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol
PubChem CID677752
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8H2
InChIKeyDLTQYEPAQCPKMU-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol (CID 677752) is 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol is OC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol?
The InChIKey is DLTQYEPAQCPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol?
1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).