4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine

C21H25Cl2NO — CID 147775404

IUPAC4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
SMILESClc1ccc(COc2ccc(CCCC3CCNCC3)cc2)cc1Cl
InChIInChI=1S/C21H25Cl2NO/c22-20-9-6-18(14-21(20)23)15-25-19-7-4-16(5-8-19)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2
InChIKeyHGSXIPUOJSAXDB-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.89
Rot. Bonds7

About 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine

4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine (PubChem CID 147775404) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
PubChem CID147775404
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
SMILESClc1ccc(COc2ccc(CCCC3CCNCC3)cc2)cc1Cl
InChIInChI=1S/C21H25Cl2NO/c22-20-9-6-18(14-21(20)23)15-25-19-7-4-16(5-8-19)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2
InChIKeyHGSXIPUOJSAXDB-UHFFFAOYSA-N
XLogP5.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
CID 141152899
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
CID 134817265
[(2S)-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-hydroxy-2-methylbutan-2-yl]azanium
CID 138319054
4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
CID 160587805
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine?
The IUPAC name of 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine (CID 147775404) is 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine.
What is the SMILES notation for 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine?
The canonical SMILES for 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine is Clc1ccc(COc2ccc(CCCC3CCNCC3)cc2)cc1Cl.
What is the InChIKey of 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine?
The InChIKey is HGSXIPUOJSAXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c22-20-9-6-18(14-21(20)23)15-25-19-7-4-16(5-8-19)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2.
What are the key properties of 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine?
4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine has a molecular weight of 378.34 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine is sourced from PubChem (CID 147775404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).