1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine

C23H31ClN2O — CID 19102661

IUPAC1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
SMILESCc1ccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H31ClN2O/c1-20-4-6-21(7-5-20)3-2-12-25-13-15-26(16-14-25)17-18-27-19-22-8-10-23(24)11-9-22/h4-11H,2-3,12-19H2,1H3
InChIKeyIVLAFDJKYFTBHD-UHFFFAOYSA-N
MW386.97 g/mol
LogP4.42
Rot. Bonds9

About 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine

1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine (PubChem CID 19102661) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
PubChem CID19102661
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
SMILESCc1ccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H31ClN2O/c1-20-4-6-21(7-5-20)3-2-12-25-13-15-26(16-14-25)17-18-27-19-22-8-10-23(24)11-9-22/h4-11H,2-3,12-19H2,1H3
InChIKeyIVLAFDJKYFTBHD-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 54.42
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-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 19102671
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
CID 10096015
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[2-(3-butoxypropoxy)ethyl]-4-[(4-methylphenyl)methyl]piperazine
CID 155739725
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
CID 170864082
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine (CID 19102661) is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine is Cc1ccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine?
The InChIKey is IVLAFDJKYFTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O/c1-20-4-6-21(7-5-20)3-2-12-25-13-15-26(16-14-25)17-18-27-19-22-8-10-23(24)11-9-22/h4-11H,2-3,12-19H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine?
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine has a molecular weight of 386.97 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine is sourced from PubChem (CID 19102661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).