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

C14H19Cl2NO — CID 57014975

IUPAC3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
SMILESOCCCC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c15-13-6-5-12(9-14(13)16)17-7-1-3-11(10-17)4-2-8-18/h5-6,9,11,18H,1-4,7-8,10H2
InChIKeyXJSSZMYRAYTNPP-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.98
Rot. Bonds4

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

3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol (PubChem CID 57014975) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
PubChem CID57014975
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
SMILESOCCCC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c15-13-6-5-12(9-14(13)16)17-7-1-3-11(10-17)4-2-8-18/h5-6,9,11,18H,1-4,7-8,10H2
InChIKeyXJSSZMYRAYTNPP-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol (CID 57014975) is 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol is OCCCC1CCCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The InChIKey is XJSSZMYRAYTNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-13-6-5-12(9-14(13)16)17-7-1-3-11(10-17)4-2-8-18/h5-6,9,11,18H,1-4,7-8,10H2.
What are the key properties of 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 57014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).