(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine

C18H30N2 — CID 82761273

IUPAC(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCNC[C@H]1C
InChIInChI=1S/C18H30N2/c1-13-9-16(18(4,5)6)10-14(2)17(13)12-20-8-7-19-11-15(20)3/h9-10,15,19H,7-8,11-12H2,1-6H3/t15-/m1/s1
InChIKeyZXMFLUHVYWKTEK-OAHLLOKOSA-N
MW274.45 g/mol
LogP3.39
Rot. Bonds2

About (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine

(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine (PubChem CID 82761273) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
PubChem CID82761273
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCNC[C@H]1C
InChIInChI=1S/C18H30N2/c1-13-9-16(18(4,5)6)10-14(2)17(13)12-20-8-7-19-11-15(20)3/h9-10,15,19H,7-8,11-12H2,1-6H3/t15-/m1/s1
InChIKeyZXMFLUHVYWKTEK-OAHLLOKOSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
CID 83558611
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
3-[(2-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 23155130
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine (CID 82761273) is (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine is Cc1cc(C(C)(C)C)cc(C)c1CN1CCNC[C@H]1C.
What is the InChIKey of (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine?
The InChIKey is ZXMFLUHVYWKTEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-9-16(18(4,5)6)10-14(2)17(13)12-20-8-7-19-11-15(20)3/h9-10,15,19H,7-8,11-12H2,1-6H3/t15-/m1/s1.
What are the key properties of (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine?
(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82761273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).