1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine

C16H27N3 — CID 55135743

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
SMILESCNC(C)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-16(15(13)3)19-10-8-18(9-11-19)12-14(2)17-4/h5-7,14,17H,8-12H2,1-4H3
InChIKeyGAUPONQSEGYBSO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine (PubChem CID 55135743) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
PubChem CID55135743
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
SMILESCNC(C)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-16(15(13)3)19-10-8-18(9-11-19)12-14(2)17-4/h5-7,14,17H,8-12H2,1-4H3
InChIKeyGAUPONQSEGYBSO-UHFFFAOYSA-N
XLogP2.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 45262392
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
methyl 2-bromo-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoate
CID 81091395
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
4-(2,3-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide
CID 111238333
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
CID 60719002
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine (CID 55135743) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine is CNC(C)CN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine?
The InChIKey is GAUPONQSEGYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-5-7-16(15(13)3)19-10-8-18(9-11-19)12-14(2)17-4/h5-7,14,17H,8-12H2,1-4H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).