4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one

C32H39NO2 — CID 3191

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IUPAC4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKeyMJJALKDDGIKVBE-UHFFFAOYSA-N
MW469.67 g/mol
LogP7.22
Rot. Bonds9

About 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one

4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one (PubChem CID 3191) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
PubChem CID3191
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKeyMJJALKDDGIKVBE-UHFFFAOYSA-N
XLogP7.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one with MolForge

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Related Compounds

Carebastine
CID 65820
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
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4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-propylphenyl)butan-1-one
CID 11641076
4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
CID 39380
2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one
CID 24825334
4-[4-(Benzyloxy)piperidino]butyl benzoate
CID 9969234
4-[4-(Benzhydryloxy)piperidino]butyl benzoate
CID 10275242
4-[4-(Benzhydryloxy)piperidino]butyl 4-fluorobenzoate
CID 10204915
4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-1-p-tolylbutan-1-one
CID 15230929
1-(4-Ethylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
CID 21528597
1-(4-Butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
CID 44411202
Methyl 4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)benzoate
CID 45485473

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one?
The IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one (CID 3191) is 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one.
What is the SMILES notation for 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one?
The canonical SMILES for 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one is CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one?
The InChIKey is MJJALKDDGIKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3.
What are the key properties of 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one?
4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one has a molecular weight of 469.67 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one is sourced from PubChem (CID 3191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).