2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine

C17H29N3O — CID 43187198

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-8-17(2,14-18)20-11-9-19(10-12-20)15-6-5-7-16(13-15)21-3/h5-7,13H,4,8-12,14,18H2,1-3H3
InChIKeyQUGLTUQKSVLWTE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine

2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine (PubChem CID 43187198) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
PubChem CID43187198
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-8-17(2,14-18)20-11-9-19(10-12-20)15-6-5-7-16(13-15)21-3/h5-7,13H,4,8-12,14,18H2,1-3H3
InChIKeyQUGLTUQKSVLWTE-UHFFFAOYSA-N
XLogP2.33
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
1-(3-methoxyphenyl)azepane
CID 57276431
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62271088
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
3-methoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 103225441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine (CID 43187198) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine is CCCC(C)(CN)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine?
The InChIKey is QUGLTUQKSVLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-17(2,14-18)20-11-9-19(10-12-20)15-6-5-7-16(13-15)21-3/h5-7,13H,4,8-12,14,18H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine is sourced from PubChem (CID 43187198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).