3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine

C17H29N3O — CID 43829826

IUPAC3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
SMILESCCC(N)(c1ccc(OC)cc1)C(C)N1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-5-17(18,15-6-8-16(21-4)9-7-15)14(2)20-12-10-19(3)11-13-20/h6-9,14H,5,10-13,18H2,1-4H3
InChIKeyJVHXVCJCXINJKJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine

3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine (PubChem CID 43829826) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
PubChem CID43829826
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
SMILESCCC(N)(c1ccc(OC)cc1)C(C)N1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-5-17(18,15-6-8-16(21-4)9-7-15)14(2)20-12-10-19(3)11-13-20/h6-9,14H,5,10-13,18H2,1-4H3
InChIKeyJVHXVCJCXINJKJ-UHFFFAOYSA-N
XLogP1.90
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-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 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine (CID 43829826) is 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine is CCC(N)(c1ccc(OC)cc1)C(C)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine?
The InChIKey is JVHXVCJCXINJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-17(18,15-6-8-16(21-4)9-7-15)14(2)20-12-10-19(3)11-13-20/h6-9,14H,5,10-13,18H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine?
3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine is sourced from PubChem (CID 43829826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).