3-(4-phenylpiperazin-1-yl)butan-1-amine

C14H23N3 — CID 60914326

IUPAC3-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H23N3/c1-13(7-8-15)16-9-11-17(12-10-16)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3
InChIKeyBMDOKHPWNMPYPE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-phenylpiperazin-1-yl)butan-1-amine

3-(4-phenylpiperazin-1-yl)butan-1-amine (PubChem CID 60914326) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)butan-1-amine
PubChem CID60914326
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H23N3/c1-13(7-8-15)16-9-11-17(12-10-16)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3
InChIKeyBMDOKHPWNMPYPE-UHFFFAOYSA-N
XLogP1.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-phenylpiperazin-1-yl)butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
CID 101335310
1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131
2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62558178
4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine
CID 129398102
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
4-(4-pentan-2-ylpiperazin-1-yl)benzoic acid
CID 66975271
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)butan-1-amine (CID 60914326) is 3-(4-phenylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)butan-1-amine is CC(CCN)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)butan-1-amine?
The InChIKey is BMDOKHPWNMPYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(7-8-15)16-9-11-17(12-10-16)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3.
What are the key properties of 3-(4-phenylpiperazin-1-yl)butan-1-amine?
3-(4-phenylpiperazin-1-yl)butan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 60914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).