4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide

C58H68N4O4 — CID 91356446

IUPAC4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C29H34N2O2/c2*1-30(2)27(32)29(25-14-8-4-9-15-25,26-16-10-5-11-17-26)20-23-31-21-18-28(33,19-22-31)24-12-6-3-7-13-24/h2*3-17,33H,18-23H2,1-2H3
InChIKeyBTSKCSCXSZWQEF-UHFFFAOYSA-N
MW885.21 g/mol
LogP8.87
Rot. Bonds14

About 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide

4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 91356446) has the molecular formula C58H68N4O4 and a molecular weight of 885.21 g/mol. Its IUPAC name is 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
PubChem CID91356446
Molecular FormulaC58H68N4O4
Molecular Weight885.21 g/mol
Exact Mass884.52
IUPAC Name4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C29H34N2O2/c2*1-30(2)27(32)29(25-14-8-4-9-15-25,26-16-10-5-11-17-26)20-23-31-21-18-28(33,19-22-31)24-12-6-3-7-13-24/h2*3-17,33H,18-23H2,1-2H3
InChIKeyBTSKCSCXSZWQEF-UHFFFAOYSA-N
XLogP8.87
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.21
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Loperamide
CID 3955
Loperamide hydrochloride specified impurity D
CID 3705191
4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide
CID 10052051
1-(2-{4-[Hydroxy(diphenyl)methyl]piperidin-1-yl}-2-oxoethyl)-3,3-diphenylpiperidin-2-one
CID 57396816
1-[3-[(Dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
CID 171344130
[N-methyl-11C]4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenyl-N-dimethyl-butanamide
CID 9912841
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;dihydrate;hydrochloride
CID 157599709
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-morpholin-4-yl-2,2-diphenylbutan-1-one;hydrochloride
CID 159727064
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2,2-diphenyl-1-piperidin-1-ylbutan-1-one;hydrochloride
CID 161469117
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2,2-diphenyl-1-piperidin-1-ylbutan-1-one
CID 9807611
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-morpholin-4-yl-2,2-diphenylbutan-1-one
CID 9829063
[3-(4-Fluorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 10117825

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide?
The IUPAC name of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide (CID 91356446) is 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide.
What is the SMILES notation for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide?
The canonical SMILES for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide is CN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is BTSKCSCXSZWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H34N2O2/c2*1-30(2)27(32)29(25-14-8-4-9-15-25,26-16-10-5-11-17-26)20-23-31-21-18-28(33,19-22-31)24-12-6-3-7-13-24/h2*3-17,33H,18-23H2,1-2H3.
What are the key properties of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide?
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 885.21 g/mol, XLogP of 8.87, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 91356446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).