(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

C13H21N3 — CID 116941309

IUPAC(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1cccc(C(N)C2CNCCN2C)c1
InChIInChI=1S/C13H21N3/c1-10-4-3-5-11(8-10)13(14)12-9-15-6-7-16(12)2/h3-5,8,12-13,15H,6-7,9,14H2,1-2H3
InChIKeyBWPDRKWRZSXSHG-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.90
Rot. Bonds2

About (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941309) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941309
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1cccc(C(N)C2CNCCN2C)c1
InChIInChI=1S/C13H21N3/c1-10-4-3-5-11(8-10)13(14)12-9-15-6-7-16(12)2/h3-5,8,12-13,15H,6-7,9,14H2,1-2H3
InChIKeyBWPDRKWRZSXSHG-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941308
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956962
(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
CID 116941281
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
CID 82510307
N-methyl-1-(1-methylpiperazin-2-yl)-1-phenylmethanamine
CID 116956619
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (CID 116941309) is (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is Cc1cccc(C(N)C2CNCCN2C)c1.
What is the InChIKey of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is BWPDRKWRZSXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-4-3-5-11(8-10)13(14)12-9-15-6-7-16(12)2/h3-5,8,12-13,15H,6-7,9,14H2,1-2H3.
What are the key properties of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).