1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine

C20H25ClN2 — CID 877900

IUPAC1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyIUSRPFHVAGISQE-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.22
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine (PubChem CID 877900) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
PubChem CID877900
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyIUSRPFHVAGISQE-UHFFFAOYSA-N
XLogP4.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 63386568
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-propylsulfanylethanone
CID 70736727
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine (CID 877900) is 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine is CCc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine?
The InChIKey is IUSRPFHVAGISQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-2-17-3-5-18(6-4-17)15-22-11-13-23(14-12-22)16-19-7-9-20(21)10-8-19/h3-10H,2,11-16H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine has a molecular weight of 328.89 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine is sourced from PubChem (CID 877900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).