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

C14H23N3 — CID 117026938

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2cccc(C)c2C)CCN1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-14(12(11)2)17-8-7-16-13(10-17)9-15-3/h4-6,13,15-16H,7-10H2,1-3H3
InChIKeyNTNLHOUJMIQHBV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.30
Rot. Bonds3

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

1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine (PubChem CID 117026938) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
PubChem CID117026938
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2cccc(C)c2C)CCN1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-14(12(11)2)17-8-7-16-13(10-17)9-15-3/h4-6,13,15-16H,7-10H2,1-3H3
InChIKeyNTNLHOUJMIQHBV-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
CID 117026970
methyl 2-[3-(methylaminomethyl)piperazin-1-yl]benzoate
CID 117026977
1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117025919
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
3-cyclohexyl-1-(2,3-dimethylphenyl)-1,4-diazepane
CID 64944097
2-(2,3-dimethylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930343
1-(3-chloro-2-methylphenyl)-3-propyl-1,4-diazepane
CID 64945541
1-(2-methylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944305
2-(2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929866
(3S)-3-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 58996610
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
CID 79043174

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine (CID 117026938) is 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine is CNCC1CN(c2cccc(C)c2C)CCN1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine?
The InChIKey is NTNLHOUJMIQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-4-6-14(12(11)2)17-8-7-16-13(10-17)9-15-3/h4-6,13,15-16H,7-10H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine?
1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 117026938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).