3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine

C14H23N3O — CID 2197701

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1ccc(N2CCN(CCCN)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,7-12,15H2,1H3
InChIKeyVHYFECUKHCCEAK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.17
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine

3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 2197701) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
PubChem CID2197701
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1ccc(N2CCN(CCCN)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,7-12,15H2,1H3
InChIKeyVHYFECUKHCCEAK-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine (CID 2197701) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine is COc1ccc(N2CCN(CCCN)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is VHYFECUKHCCEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,7-12,15H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 2197701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).