4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine

C17H26ClNO — CID 141152899

IUPAC4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
SMILESClc1ccc(CCCOCCCC2CCNCC2)cc1
InChIInChI=1S/C17H26ClNO/c18-17-7-5-15(6-8-17)3-1-13-20-14-2-4-16-9-11-19-12-10-16/h5-8,16,19H,1-4,9-14H2
InChIKeyQYWUYKLQLSTFTN-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.07
Rot. Bonds8

About 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine

4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine (PubChem CID 141152899) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
PubChem CID141152899
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
SMILESClc1ccc(CCCOCCCC2CCNCC2)cc1
InChIInChI=1S/C17H26ClNO/c18-17-7-5-15(6-8-17)3-1-13-20-14-2-4-16-9-11-19-12-10-16/h5-8,16,19H,1-4,9-14H2
InChIKeyQYWUYKLQLSTFTN-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
CID 160587805
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
CID 147775404
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine?
The IUPAC name of 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine (CID 141152899) is 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine.
What is the SMILES notation for 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine?
The canonical SMILES for 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine is Clc1ccc(CCCOCCCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine?
The InChIKey is QYWUYKLQLSTFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c18-17-7-5-15(6-8-17)3-1-13-20-14-2-4-16-9-11-19-12-10-16/h5-8,16,19H,1-4,9-14H2.
What are the key properties of 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine?
4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine has a molecular weight of 295.85 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine is sourced from PubChem (CID 141152899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).