4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline

C17H29N3 — CID 115342057

IUPAC4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
SMILESCC(C)CN1CCN(CCCc2ccc(N)cc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)14-20-12-10-19(11-13-20)9-3-4-16-5-7-17(18)8-6-16/h5-8,15H,3-4,9-14,18H2,1-2H3
InChIKeyBFJVRZSZISWTPA-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.47
Rot. Bonds6

About 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline

4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline (PubChem CID 115342057) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline.

Molecular Properties

Compound Name4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
PubChem CID115342057
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
SMILESCC(C)CN1CCN(CCCc2ccc(N)cc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)14-20-12-10-19(11-13-20)9-3-4-16-5-7-17(18)8-6-16/h5-8,15H,3-4,9-14,18H2,1-2H3
InChIKeyBFJVRZSZISWTPA-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline 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

4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343
4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
4-[[4-(10-methylundecyl)piperazin-1-yl]methyl]aniline
CID 155411570
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
CID 153405634
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
CID 115342194
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-(3,4-dimethoxypyrrolidin-1-yl)propyl]aniline
CID 103533938
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 115341786
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline?
The IUPAC name of 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline (CID 115342057) is 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline.
What is the SMILES notation for 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline?
The canonical SMILES for 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline is CC(C)CN1CCN(CCCc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline?
The InChIKey is BFJVRZSZISWTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)14-20-12-10-19(11-13-20)9-3-4-16-5-7-17(18)8-6-16/h5-8,15H,3-4,9-14,18H2,1-2H3.
What are the key properties of 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline?
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline is sourced from PubChem (CID 115342057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).