N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine

C14H23N3 — CID 116954879

IUPACN-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
SMILESCNC(CN1CCNCC1)c1ccc(C)cc1
InChIInChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)14(15-2)11-17-9-7-16-8-10-17/h3-6,14-16H,7-11H2,1-2H3
InChIKeyIEQFFQHZYRQUQL-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.16
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine

N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine (PubChem CID 116954879) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
PubChem CID116954879
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
SMILESCNC(CN1CCNCC1)c1ccc(C)cc1
InChIInChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)14(15-2)11-17-9-7-16-8-10-17/h3-6,14-16H,7-11H2,1-2H3
InChIKeyIEQFFQHZYRQUQL-UHFFFAOYSA-N
XLogP1.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116954929
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60939432
2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62331775

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine (CID 116954879) is N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine is CNC(CN1CCNCC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The InChIKey is IEQFFQHZYRQUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)14(15-2)11-17-9-7-16-8-10-17/h3-6,14-16H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine?
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine is sourced from PubChem (CID 116954879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).