1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine

C21H27ClN2O — CID 10737150

IUPAC1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
SMILESCOc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H27ClN2O/c1-25-21-7-4-6-18(17-21)5-2-3-12-23-13-15-24(16-14-23)20-10-8-19(22)9-11-20/h4,6-11,17H,2-3,5,12-16H2,1H3
InChIKeyFKEVPZVICOXDLR-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.49
Rot. Bonds7

About 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine

1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine (PubChem CID 10737150) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
PubChem CID10737150
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
SMILESCOc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H27ClN2O/c1-25-21-7-4-6-18(17-21)5-2-3-12-23-13-15-24(16-14-23)20-10-8-19(22)9-11-20/h4,6-11,17H,2-3,5,12-16H2,1H3
InChIKeyFKEVPZVICOXDLR-UHFFFAOYSA-N
XLogP4.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine (CID 10737150) is 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine is COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine?
The InChIKey is FKEVPZVICOXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-25-21-7-4-6-18(17-21)5-2-3-12-23-13-15-24(16-14-23)20-10-8-19(22)9-11-20/h4,6-11,17H,2-3,5,12-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine?
1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine has a molecular weight of 358.91 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 10737150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).