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

C29H34N2O2 — CID 3705191

IUPAC4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O2/c1-30(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/h3-17,33H,18-23H2,1-2H3
InChIKeyYNPNRXMADRSSLH-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.43
Rot. Bonds7

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 3705191) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 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 CID3705191
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
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
InChIInChI=1S/C29H34N2O2/c1-30(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/h3-17,33H,18-23H2,1-2H3
InChIKeyYNPNRXMADRSSLH-UHFFFAOYSA-N
XLogP4.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 3705191) 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.
What is the InChIKey of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is YNPNRXMADRSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-30(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/h3-17,33H,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 442.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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 3705191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).