1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine

C18H28ClNO — CID 11947991

IUPAC1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
SMILESCC1CCN(CCCOCCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-16-9-12-20(13-10-16)11-3-15-21-14-2-4-17-5-7-18(19)8-6-17/h5-8,16H,2-4,9-15H2,1H3
InChIKeyZBEKDGCZNPKUEP-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.41
Rot. Bonds8

About 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine

1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine (PubChem CID 11947991) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
PubChem CID11947991
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
SMILESCC1CCN(CCCOCCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-16-9-12-20(13-10-16)11-3-15-21-14-2-4-17-5-7-18(19)8-6-17/h5-8,16H,2-4,9-15H2,1H3
InChIKeyZBEKDGCZNPKUEP-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
CID 66702546
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidine
CID 172676756
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
CID 19102661
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine (CID 11947991) is 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine is CC1CCN(CCCOCCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine?
The InChIKey is ZBEKDGCZNPKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-16-9-12-20(13-10-16)11-3-15-21-14-2-4-17-5-7-18(19)8-6-17/h5-8,16H,2-4,9-15H2,1H3.
What are the key properties of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine?
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine has a molecular weight of 309.88 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine is sourced from PubChem (CID 11947991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).