1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine

C15H24N2 — CID 65418520

IUPAC1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
SMILESCc1ccc(C(C)N2CCNC(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-11-5-6-15(9-12(11)2)14(4)17-8-7-16-13(3)10-17/h5-6,9,13-14,16H,7-8,10H2,1-4H3
InChIKeyGVFHMNIFCKSACD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.66
Rot. Bonds2

About 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine

1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine (PubChem CID 65418520) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
PubChem CID65418520
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
SMILESCc1ccc(C(C)N2CCNC(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-11-5-6-15(9-12(11)2)14(4)17-8-7-16-13(3)10-17/h5-6,9,13-14,16H,7-8,10H2,1-4H3
InChIKeyGVFHMNIFCKSACD-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
6-[1-(3,4-dimethylphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678696
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
CID 65418314
3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81471476
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine (CID 65418520) is 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine is Cc1ccc(C(C)N2CCNC(C)C2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine?
The InChIKey is GVFHMNIFCKSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-6-15(9-12(11)2)14(4)17-8-7-16-13(3)10-17/h5-6,9,13-14,16H,7-8,10H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine?
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 65418520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).