1-butyl-4-(3-chlorophenyl)piperazine

C14H21ClN2 — CID 14960354

IUPAC1-butyl-4-(3-chlorophenyl)piperazine
SMILESCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
InChIKeyRFXLVCWTPBARCS-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.26
Rot. Bonds4

About 1-butyl-4-(3-chlorophenyl)piperazine

1-butyl-4-(3-chlorophenyl)piperazine (PubChem CID 14960354) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-butyl-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(3-chlorophenyl)piperazine
PubChem CID14960354
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-butyl-4-(3-chlorophenyl)piperazine
SMILESCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
InChIKeyRFXLVCWTPBARCS-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-butyl-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-butyl-4-(3-chlorophenyl)piperazine (CID 14960354) is 1-butyl-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-butyl-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-butyl-4-(3-chlorophenyl)piperazine is CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-butyl-4-(3-chlorophenyl)piperazine?
The InChIKey is RFXLVCWTPBARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3.
What are the key properties of 1-butyl-4-(3-chlorophenyl)piperazine?
1-butyl-4-(3-chlorophenyl)piperazine has a molecular weight of 252.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 14960354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).