(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine

C14H22N2 — CID 82713288

IUPAC(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
SMILESCc1ccc(C)c(CN2CCNC[C@H]2C)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-12(2)14(8-11)10-16-7-6-15-9-13(16)3/h4-5,8,13,15H,6-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyAMODKYDUMFJKSK-CYBMUJFWSA-N
MW218.34 g/mol
LogP2.10
Rot. Bonds2

About (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine

(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine (PubChem CID 82713288) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
PubChem CID82713288
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
SMILESCc1ccc(C)c(CN2CCNC[C@H]2C)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-12(2)14(8-11)10-16-7-6-15-9-13(16)3/h4-5,8,13,15H,6-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyAMODKYDUMFJKSK-CYBMUJFWSA-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-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
CID 83558611
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64844455
7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one
CID 82762211
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
(2R)-1-[2-(2,5-dimethylphenoxy)ethyl]-2-methylpiperazine
CID 82713741
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
CID 82761273
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
1-[(2,5-dimethylphenyl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 64871447

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine (CID 82713288) is (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine is Cc1ccc(C)c(CN2CCNC[C@H]2C)c1.
What is the InChIKey of (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine?
The InChIKey is AMODKYDUMFJKSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-5-12(2)14(8-11)10-16-7-6-15-9-13(16)3/h4-5,8,13,15H,6-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine?
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-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 (2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82713288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).