1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone

C32H39NO — CID 59872270

IUPAC1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(C(=O)CN2CCC(C)(C(C)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO/c1-30(2,3)26-18-16-25(17-19-26)29(34)24-33-22-20-31(4,21-23-33)32(5,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-19H,20-24H2,1-5H3
InChIKeyODMHWVASTWFRKC-UHFFFAOYSA-N
MW453.67 g/mol
LogP7.28
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone

1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone (PubChem CID 59872270) has the molecular formula C32H39NO and a molecular weight of 453.67 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone
PubChem CID59872270
Molecular FormulaC32H39NO
Molecular Weight453.67 g/mol
Exact Mass453.30
IUPAC Name1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(C(=O)CN2CCC(C)(C(C)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO/c1-30(2,3)26-18-16-25(17-19-26)29(34)24-33-22-20-31(4,21-23-33)32(5,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-19H,20-24H2,1-5H3
InChIKeyODMHWVASTWFRKC-UHFFFAOYSA-N
XLogP7.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.67
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
CID 23383913
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
CID 140937019
1-[2-[1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54197679
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
3-(4-tert-butylphenyl)-4-pyrrolidin-1-ylbut-2-enoic acid
CID 68872948
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone (CID 59872270) is 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone is CC(C)(C)c1ccc(C(=O)CN2CCC(C)(C(C)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone?
The InChIKey is ODMHWVASTWFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO/c1-30(2,3)26-18-16-25(17-19-26)29(34)24-33-22-20-31(4,21-23-33)32(5,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-19H,20-24H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone?
1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone has a molecular weight of 453.67 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[4-(1,1-diphenylethyl)-4-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 59872270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).