1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

C18H31N3 — CID 62778017

IUPAC1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc(C(N)CCN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14,19H2,1-3H3
InChIKeyOUIHTACHZDSJJW-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (PubChem CID 62778017) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
PubChem CID62778017
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc(C(N)CCN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14,19H2,1-3H3
InChIKeyOUIHTACHZDSJJW-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618231
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539542
1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 62992058
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (CID 62778017) is 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is Cc1ccc(C(N)CCN2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The InChIKey is OUIHTACHZDSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14,19H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62778017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).