[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine

C16H27N3 — CID 80504272

IUPAC[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
SMILESCC(C)C(c1ccccc1)N1CCN(C)CC1CN
InChIInChI=1S/C16H27N3/c1-13(2)16(14-7-5-4-6-8-14)19-10-9-18(3)12-15(19)11-17/h4-8,13,15-16H,9-12,17H2,1-3H3
InChIKeyLCMMZAMSRQXLLK-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.96
Rot. Bonds4

About [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine

[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine (PubChem CID 80504272) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
PubChem CID80504272
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
SMILESCC(C)C(c1ccccc1)N1CCN(C)CC1CN
InChIInChI=1S/C16H27N3/c1-13(2)16(14-7-5-4-6-8-14)19-10-9-18(3)12-15(19)11-17/h4-8,13,15-16H,9-12,17H2,1-3H3
InChIKeyLCMMZAMSRQXLLK-UHFFFAOYSA-N
XLogP1.96
TPSA32.50 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-phenylbutan-1-one
CID 80504911
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine (CID 80504272) is [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine is CC(C)C(c1ccccc1)N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine?
The InChIKey is LCMMZAMSRQXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)16(14-7-5-4-6-8-14)19-10-9-18(3)12-15(19)11-17/h4-8,13,15-16H,9-12,17H2,1-3H3.
What are the key properties of [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine?
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80504272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).