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

C13H21N3 — CID 82079666

IUPAC2-(4-methylphenyl)-2-piperazin-1-ylethanamine
SMILESCc1ccc(C(CN)N2CCNCC2)cc1
InChIInChI=1S/C13H21N3/c1-11-2-4-12(5-3-11)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3
InChIKeyTYLNUEBCOVMDRL-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.90
Rot. Bonds3

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

2-(4-methylphenyl)-2-piperazin-1-ylethanamine (PubChem CID 82079666) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-piperazin-1-ylethanamine
PubChem CID82079666
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-methylphenyl)-2-piperazin-1-ylethanamine
SMILESCc1ccc(C(CN)N2CCNCC2)cc1
InChIInChI=1S/C13H21N3/c1-11-2-4-12(5-3-11)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3
InChIKeyTYLNUEBCOVMDRL-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
CID 174747780
1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355396
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-piperazin-1-ylethanamine (CID 82079666) is 2-(4-methylphenyl)-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-piperazin-1-ylethanamine is Cc1ccc(C(CN)N2CCNCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-piperazin-1-ylethanamine?
The InChIKey is TYLNUEBCOVMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-2-4-12(5-3-11)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-piperazin-1-ylethanamine?
2-(4-methylphenyl)-2-piperazin-1-ylethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-piperazin-1-ylethanamine is sourced from PubChem (CID 82079666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).