2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine

C16H25N3 — CID 62558178

IUPAC2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3/c1-3-9-17-14-15(2)18-10-12-19(13-11-18)16-7-5-4-6-8-16/h3-8,15,17H,1,9-14H2,2H3
InChIKeyRZFGFDUTJWWNDH-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine

2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62558178) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62558178
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3/c1-3-9-17-14-15(2)18-10-12-19(13-11-18)16-7-5-4-6-8-16/h3-8,15,17H,1,9-14H2,2H3
InChIKeyRZFGFDUTJWWNDH-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
CID 62557485
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
CID 69154190
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111001255
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62558178) is 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is RZFGFDUTJWWNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-9-17-14-15(2)18-10-12-19(13-11-18)16-7-5-4-6-8-16/h3-8,15,17H,1,9-14H2,2H3.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62558178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).