4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine

C15H25N3O — CID 10999903

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCOc1ccccc1N1CCN(CCCCN)CC1
InChIInChI=1S/C15H25N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,8-13,16H2,1H3
InChIKeyUFJPFLDFMPVGRW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.56
Rot. Bonds6

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine

4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 10999903) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
PubChem CID10999903
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCOc1ccccc1N1CCN(CCCCN)CC1
InChIInChI=1S/C15H25N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,8-13,16H2,1H3
InChIKeyUFJPFLDFMPVGRW-UHFFFAOYSA-N
XLogP1.56
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine (CID 10999903) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine is COc1ccccc1N1CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is UFJPFLDFMPVGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,8-13,16H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 10999903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).