2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine

C17H29N3 — CID 63340721

IUPAC2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-5-17(13-18)20-10-8-19(9-11-20)14-16-7-4-6-15(2)12-16/h4,6-7,12,17H,3,5,8-11,13-14,18H2,1-2H3
InChIKeyKNAWGEKVGKRERX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine (PubChem CID 63340721) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine
PubChem CID63340721
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-5-17(13-18)20-10-8-19(9-11-20)14-16-7-4-6-15(2)12-16/h4,6-7,12,17H,3,5,8-11,13-14,18H2,1-2H3
InChIKeyKNAWGEKVGKRERX-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
CID 63340356
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1-[(3-methylphenyl)methyl]-4-(3-methylsulfanylbutyl)piperazine
CID 56889495
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
CID 23935430
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine (CID 63340721) is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine?
The InChIKey is KNAWGEKVGKRERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-17(13-18)20-10-8-19(9-11-20)14-16-7-4-6-15(2)12-16/h4,6-7,12,17H,3,5,8-11,13-14,18H2,1-2H3.
What are the key properties of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine?
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).