(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone

C17H25NO — CID 82049671

IUPAC(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C17H25NO/c1-12-5-6-14(17(2,3)4)11-15(12)16(19)13-7-9-18-10-8-13/h5-6,11,13,18H,7-10H2,1-4H3
InChIKeyLHVIDTBMDNYFLZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds2

About (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone

(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone (PubChem CID 82049671) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
PubChem CID82049671
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C17H25NO/c1-12-5-6-14(17(2,3)4)11-15(12)16(19)13-7-9-18-10-8-13/h5-6,11,13,18H,7-10H2,1-4H3
InChIKeyLHVIDTBMDNYFLZ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide
CID 141022952
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
(7-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 82497264
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949785
1-(3,4-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290252
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82551237
4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 143233960

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone (CID 82049671) is (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone is Cc1ccc(C(C)(C)C)cc1C(=O)C1CCNCC1.
What is the InChIKey of (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone?
The InChIKey is LHVIDTBMDNYFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-6-14(17(2,3)4)11-15(12)16(19)13-7-9-18-10-8-13/h5-6,11,13,18H,7-10H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone?
(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone has a molecular weight of 259.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82049671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).