3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine

C15H25N3O — CID 112501048

IUPAC3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine
SMILESCN1CCN(C(CCN)COc2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)14(7-8-16)13-19-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeyOEIPWMUYRNKSRB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.03
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine

3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine (PubChem CID 112501048) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine
PubChem CID112501048
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine
SMILESCN1CCN(C(CCN)COc2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)14(7-8-16)13-19-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeyOEIPWMUYRNKSRB-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine (CID 112501048) is 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine is CN1CCN(C(CCN)COc2ccccc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine?
The InChIKey is OEIPWMUYRNKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)14(7-8-16)13-19-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine?
3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-4-phenoxybutan-1-amine is sourced from PubChem (CID 112501048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).