N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine

C16H27N3 — CID 116954929

IUPACN-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCNC(CN1CCNCC1)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)16(17-4)11-19-9-7-18-8-10-19/h5-6,16-18H,7-11H2,1-4H3
InChIKeyZCVRJPAZTIVAJE-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.78
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine

N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116954929) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116954929
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCNC(CN1CCNCC1)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)16(17-4)11-19-9-7-18-8-10-19/h5-6,16-18H,7-11H2,1-4H3
InChIKeyZCVRJPAZTIVAJE-UHFFFAOYSA-N
XLogP1.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116951835
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
CID 82266503
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
N'-cyclopropyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950683
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82024010
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 82302464
1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116954929) is N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine is CNC(CN1CCNCC1)c1ccc(C)c(C)c1C.
What is the InChIKey of N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is ZCVRJPAZTIVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)16(17-4)11-19-9-7-18-8-10-19/h5-6,16-18H,7-11H2,1-4H3.
What are the key properties of N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine?
N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116954929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).