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

C20H32ClNO2 — CID 175675428

IUPAC1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
SMILESClc1ccc(CCCOCCCOCCCN2CCCCC2)cc1
InChIInChI=1S/C20H32ClNO2/c21-20-10-8-19(9-11-20)7-4-15-23-17-6-18-24-16-5-14-22-12-2-1-3-13-22/h8-11H,1-7,12-18H2
InChIKeyLMOBZMXZQQPLAB-UHFFFAOYSA-N
MW353.93 g/mol
LogP4.57
Rot. Bonds12

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

1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine (PubChem CID 175675428) has the molecular formula C20H32ClNO2 and a molecular weight of 353.93 g/mol. Its IUPAC name is 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
PubChem CID175675428
Molecular FormulaC20H32ClNO2
Molecular Weight353.93 g/mol
Exact Mass353.21
IUPAC Name1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
SMILESClc1ccc(CCCOCCCOCCCN2CCCCC2)cc1
InChIInChI=1S/C20H32ClNO2/c21-20-10-8-19(9-11-20)7-4-15-23-17-6-18-24-16-5-14-22-12-2-1-3-13-22/h8-11H,1-7,12-18H2
InChIKeyLMOBZMXZQQPLAB-UHFFFAOYSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
1-[3-[3-(4-chlorophenyl)propoxy]-1,1,2,2,3,3-hexadeuteriopropyl]piperidine
CID 172653317
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidine
CID 172676756
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
CID 66702546
3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
CID 163323866
(1S,5R)-3-[(4-chlorophenyl)methyl]-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 11631928
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
CID 175675430
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine?
The IUPAC name of 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine (CID 175675428) is 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine is Clc1ccc(CCCOCCCOCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine?
The InChIKey is LMOBZMXZQQPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClNO2/c21-20-10-8-19(9-11-20)7-4-15-23-17-6-18-24-16-5-14-22-12-2-1-3-13-22/h8-11H,1-7,12-18H2.
What are the key properties of 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine?
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine has a molecular weight of 353.93 g/mol, XLogP of 4.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine is sourced from PubChem (CID 175675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).