1-butan-2-yl-4-(3-chlorophenyl)piperazine

C14H21ClN2 — CID 15665440

IUPAC1-butan-2-yl-4-(3-chlorophenyl)piperazine
SMILESCCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyINEJRUINWQMJAB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.26
Rot. Bonds3

About 1-butan-2-yl-4-(3-chlorophenyl)piperazine

1-butan-2-yl-4-(3-chlorophenyl)piperazine (PubChem CID 15665440) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(3-chlorophenyl)piperazine
PubChem CID15665440
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-butan-2-yl-4-(3-chlorophenyl)piperazine
SMILESCCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyINEJRUINWQMJAB-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(3-chlorophenyl)piperazine (CID 15665440) is 1-butan-2-yl-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(3-chlorophenyl)piperazine is CCC(C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(3-chlorophenyl)piperazine?
The InChIKey is INEJRUINWQMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(3-chlorophenyl)piperazine?
1-butan-2-yl-4-(3-chlorophenyl)piperazine has a molecular weight of 252.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 15665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).