1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride

C15H23Cl2NO — CID 45264579

IUPAC1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(CCCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-13-7-10-17(11-8-13)9-2-12-18-15-5-3-14(16)4-6-15;/h3-6,13H,2,7-12H2,1H3;1H
InChIKeyZBMSXCZBAOOUGZ-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.26
Rot. Bonds5

About 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride

1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride (PubChem CID 45264579) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride
PubChem CID45264579
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(CCCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-13-7-10-17(11-8-13)9-2-12-18-15-5-3-14(16)4-6-15;/h3-6,13H,2,7-12H2,1H3;1H
InChIKeyZBMSXCZBAOOUGZ-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;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 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride (CID 45264579) is 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride is CC1CCN(CCCOc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride?
The InChIKey is ZBMSXCZBAOOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-13-7-10-17(11-8-13)9-2-12-18-15-5-3-14(16)4-6-15;/h3-6,13H,2,7-12H2,1H3;1H.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride?
1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 45264579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).