(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

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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).