4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine

C20H24ClNO2 — CID 70333215

IUPAC4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine
SMILESClc1ccccc1OCCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H24ClNO2/c21-19-4-1-2-5-20(19)24-15-3-14-23-18-8-6-16(7-9-18)17-10-12-22-13-11-17/h1-2,4-9,17,22H,3,10-15H2
InChIKeyQMMNDZQNOMDWMU-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.65
Rot. Bonds7

About 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine

4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine (PubChem CID 70333215) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine
PubChem CID70333215
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine
SMILESClc1ccccc1OCCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H24ClNO2/c21-19-4-1-2-5-20(19)24-15-3-14-23-18-8-6-16(7-9-18)17-10-12-22-13-11-17/h1-2,4-9,17,22H,3,10-15H2
InChIKeyQMMNDZQNOMDWMU-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
CID 67598806
4-(4-octoxyphenyl)piperidine
CID 90176821
4-(4-ethoxyphenyl)piperidine
CID 21495191
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
5-[2-(2-chlorophenoxy)ethyl]-3-[(3S)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804658
5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804657
4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine
CID 142663971
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
CID 141062462
N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
CID 108883600

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine?
The IUPAC name of 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine (CID 70333215) is 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine is Clc1ccccc1OCCCOc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine?
The InChIKey is QMMNDZQNOMDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c21-19-4-1-2-5-20(19)24-15-3-14-23-18-8-6-16(7-9-18)17-10-12-22-13-11-17/h1-2,4-9,17,22H,3,10-15H2.
What are the key properties of 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine?
4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine has a molecular weight of 345.87 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine is sourced from PubChem (CID 70333215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).