2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine

C14H23N3 — CID 115230156

IUPAC2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
SMILESCc1cccc(CCNCN2CCNCC2)c1
InChIInChI=1S/C14H23N3/c1-13-3-2-4-14(11-13)5-6-16-12-17-9-7-15-8-10-17/h2-4,11,15-16H,5-10,12H2,1H3
InChIKeyZWJPXVAENGWEFA-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.99
Rot. Bonds5

About 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine

2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine (PubChem CID 115230156) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
PubChem CID115230156
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
SMILESCc1cccc(CCNCN2CCNCC2)c1
InChIInChI=1S/C14H23N3/c1-13-3-2-4-14(11-13)5-6-16-12-17-9-7-15-8-10-17/h2-4,11,15-16H,5-10,12H2,1H3
InChIKeyZWJPXVAENGWEFA-UHFFFAOYSA-N
XLogP0.99
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230159
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
3,3,3-trifluoro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 64554820
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
methyl 3-[[2-[2-(3-methylphenyl)ethylamino]ethyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate
CID 10300247

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine (CID 115230156) is 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine is Cc1cccc(CCNCN2CCNCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine?
The InChIKey is ZWJPXVAENGWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13-3-2-4-14(11-13)5-6-16-12-17-9-7-15-8-10-17/h2-4,11,15-16H,5-10,12H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine?
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine is sourced from PubChem (CID 115230156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).