1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine

C16H25N3 — CID 63817266

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-13(17)12-14-4-2-3-5-16(14)19-10-8-18(9-11-19)15-6-7-15/h2-5,13,15H,6-12,17H2,1H3
InChIKeyHCNKJEWVWWBLCC-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine

1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine (PubChem CID 63817266) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
PubChem CID63817266
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-13(17)12-14-4-2-3-5-16(14)19-10-8-18(9-11-19)15-6-7-15/h2-5,13,15H,6-12,17H2,1H3
InChIKeyHCNKJEWVWWBLCC-UHFFFAOYSA-N
XLogP1.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine 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 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine (CID 63817266) is 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine?
The InChIKey is HCNKJEWVWWBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(17)12-14-4-2-3-5-16(14)19-10-8-18(9-11-19)15-6-7-15/h2-5,13,15H,6-12,17H2,1H3.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine?
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63817266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).