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

C14H22N2 — CID 96906172

IUPAC(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
SMILESCc1cccc(CN2CCN[C@H](C)C2)c1C
InChIInChI=1S/C14H22N2/c1-11-5-4-6-14(13(11)3)10-16-8-7-15-12(2)9-16/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1
InChIKeyGVQRBRAZMANSCU-GFCCVEGCSA-N
MW218.34 g/mol
LogP2.10
Rot. Bonds2

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

(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine (PubChem CID 96906172) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
PubChem CID96906172
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
SMILESCc1cccc(CN2CCN[C@H](C)C2)c1C
InChIInChI=1S/C14H22N2/c1-11-5-4-6-14(13(11)3)10-16-8-7-15-12(2)9-16/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1
InChIKeyGVQRBRAZMANSCU-GFCCVEGCSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
CID 115903802
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
CID 79755831
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine (CID 96906172) is (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine is Cc1cccc(CN2CCN[C@H](C)C2)c1C.
What is the InChIKey of (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine?
The InChIKey is GVQRBRAZMANSCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-4-6-14(13(11)3)10-16-8-7-15-12(2)9-16/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine?
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 96906172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).