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

C15H23Cl2NO — CID 3048983

IUPAC3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(c1ccc(Cl)cc1)C(CO)N1CCCCC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12(13-5-7-14(16)8-6-13)15(11-18)17-9-3-2-4-10-17;/h5-8,12,15,18H,2-4,9-11H2,1H3;1H
InChIKeyHTZRBTJLCHDORI-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.71
Rot. Bonds4

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

3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride (PubChem CID 3048983) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride
PubChem CID3048983
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(c1ccc(Cl)cc1)C(CO)N1CCCCC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12(13-5-7-14(16)8-6-13)15(11-18)17-9-3-2-4-10-17;/h5-8,12,15,18H,2-4,9-11H2,1H3;1H
InChIKeyHTZRBTJLCHDORI-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride (CID 3048983) is 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride is CC(c1ccc(Cl)cc1)C(CO)N1CCCCC1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is HTZRBTJLCHDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-12(13-5-7-14(16)8-6-13)15(11-18)17-9-3-2-4-10-17;/h5-8,12,15,18H,2-4,9-11H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride?
3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-piperidin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 3048983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).