4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

C29H33FN2O2 — CID 18972309

IUPAC4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChIKeyCMGOLQAUWHFUES-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.57
Rot. Bonds7

About 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 18972309) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
PubChem CID18972309
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChIKeyCMGOLQAUWHFUES-UHFFFAOYSA-N
XLogP4.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (CID 18972309) is 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is CN(C)C(=O)C(CCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is CMGOLQAUWHFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 460.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 18972309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).