(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine

C18H30N2 — CID 168755973

IUPAC(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine
SMILESCc1cc(C(C)(C)C)ccc1N1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C18H30N2/c1-13-10-16(18(4,5)6)8-9-17(13)20-12-14(2)19(7)11-15(20)3/h8-10,14-15H,11-12H2,1-7H3/t14-,15+/m0/s1
InChIKeyHDLITOAOABDAKY-LSDHHAIUSA-N
MW274.45 g/mol
LogP3.82
Rot. Bonds1

About (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine

(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine (PubChem CID 168755973) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine
PubChem CID168755973
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine
SMILESCc1cc(C(C)(C)C)ccc1N1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C18H30N2/c1-13-10-16(18(4,5)6)8-9-17(13)20-12-14(2)19(7)11-15(20)3/h8-10,14-15H,11-12H2,1-7H3/t14-,15+/m0/s1
InChIKeyHDLITOAOABDAKY-LSDHHAIUSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
CID 129268317
1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
CID 75440705
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
3-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79918833
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
5-cyclopropyl-1-(2,4-dimethylphenyl)-2-methylpiperazine
CID 64930667
5-(2,4,5-trimethylpiperazin-1-yl)pyridin-2-amine
CID 67549505
(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine
CID 138463455
(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
CID 129268171
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
2-(4-methoxy-2-methylphenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926871
3-methyl-4-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114537327

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine?
The IUPAC name of (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine (CID 168755973) is (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine?
The canonical SMILES for (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine is Cc1cc(C(C)(C)C)ccc1N1C[C@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine?
The InChIKey is HDLITOAOABDAKY-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-10-16(18(4,5)6)8-9-17(13)20-12-14(2)19(7)11-15(20)3/h8-10,14-15H,11-12H2,1-7H3/t14-,15+/m0/s1.
What are the key properties of (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine?
(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine is sourced from PubChem (CID 168755973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).