1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine

C17H27ClN2O — CID 155514430

IUPAC1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
SMILESCCCCN1CCN(c2cc(CC)cc(Cl)c2OC)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-6-7-19-8-10-20(11-9-19)16-13-14(5-2)12-15(18)17(16)21-3/h12-13H,4-11H2,1-3H3
InChIKeyFWIXCSGJXQPKPA-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.83
Rot. Bonds6

About 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine

1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine (PubChem CID 155514430) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
PubChem CID155514430
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
SMILESCCCCN1CCN(c2cc(CC)cc(Cl)c2OC)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-6-7-19-8-10-20(11-9-19)16-13-14(5-2)12-15(18)17(16)21-3/h12-13H,4-11H2,1-3H3
InChIKeyFWIXCSGJXQPKPA-UHFFFAOYSA-N
XLogP3.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The IUPAC name of 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine (CID 155514430) is 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The canonical SMILES for 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine is CCCCN1CCN(c2cc(CC)cc(Cl)c2OC)CC1.
What is the InChIKey of 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The InChIKey is FWIXCSGJXQPKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-6-7-19-8-10-20(11-9-19)16-13-14(5-2)12-15(18)17(16)21-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine has a molecular weight of 310.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine is sourced from PubChem (CID 155514430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).