5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine

C19H32N2 — CID 64849021

IUPAC5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CCC(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-5-16(4)18-14-21(12-11-15(2)3)19(13-20-18)17-9-7-6-8-10-17/h6-10,15-16,18-20H,5,11-14H2,1-4H3
InChIKeyDKQSLFHVBXFNJQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

About 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine

5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine (PubChem CID 64849021) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
PubChem CID64849021
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CCC(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-5-16(4)18-14-21(12-11-15(2)3)19(13-20-18)17-9-7-6-8-10-17/h6-10,15-16,18-20H,5,11-14H2,1-4H3
InChIKeyDKQSLFHVBXFNJQ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine 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 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine (CID 64849021) is 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine is CCC(C)C1CN(CCC(C)C)C(c2ccccc2)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine?
The InChIKey is DKQSLFHVBXFNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16(4)18-14-21(12-11-15(2)3)19(13-20-18)17-9-7-6-8-10-17/h6-10,15-16,18-20H,5,11-14H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine?
5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine is sourced from PubChem (CID 64849021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).