3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine

C16H27N3O — CID 62418788

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-14(12-17-2)13-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCDEUBPLPZUNENC-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.67
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine (PubChem CID 62418788) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
PubChem CID62418788
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-14(12-17-2)13-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCDEUBPLPZUNENC-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
4-(2-methoxyphenyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111133017
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine (CID 62418788) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine is CNCC(C)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is CDEUBPLPZUNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(12-17-2)13-18-8-10-19(11-9-18)15-6-4-5-7-16(15)20-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62418788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).