(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine

C14H22N2 — CID 95442733

IUPAC(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(C[C@@H]2CNCCN2C)cc1C
InChIInChI=1S/C14H22N2/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3/h4-5,8,14-15H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyFJIJERZQJNBFJB-CQSZACIVSA-N
MW218.34 g/mol
LogP1.75
Rot. Bonds2

About (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine (PubChem CID 95442733) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
PubChem CID95442733
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(C[C@@H]2CNCCN2C)cc1C
InChIInChI=1S/C14H22N2/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3/h4-5,8,14-15H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyFJIJERZQJNBFJB-CQSZACIVSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 22342799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine?
The IUPAC name of (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine (CID 95442733) is (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine is Cc1ccc(C[C@@H]2CNCCN2C)cc1C.
What is the InChIKey of (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine?
The InChIKey is FJIJERZQJNBFJB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3/h4-5,8,14-15H,6-7,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine?
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 95442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).