tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate

C22H34N2O4 — CID 67415587

IUPACtert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H34N2O4/c1-20(2,3)28-19(26)23-16-21(4,5)15-18(25)24-13-11-22(27,12-14-24)17-9-7-6-8-10-17/h6-10,27H,11-16H2,1-5H3,(H,23,26)
InChIKeyRYALZFDIKYTKKA-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate

tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate (PubChem CID 67415587) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
PubChem CID67415587
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Nametert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H34N2O4/c1-20(2,3)28-19(26)23-16-21(4,5)15-18(25)24-13-11-22(27,12-14-24)17-9-7-6-8-10-17/h6-10,27H,11-16H2,1-5H3,(H,23,26)
InChIKeyRYALZFDIKYTKKA-UHFFFAOYSA-N
XLogP3.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate
CID 174763798
benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 68594622
tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
tert-butyl 4-(3-aminophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66712303
tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
CID 67231354
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate (CID 67415587) is tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The InChIKey is RYALZFDIKYTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-20(2,3)28-19(26)23-16-21(4,5)15-18(25)24-13-11-22(27,12-14-24)17-9-7-6-8-10-17/h6-10,27H,11-16H2,1-5H3,(H,23,26).
What are the key properties of tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate has a molecular weight of 390.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate is sourced from PubChem (CID 67415587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).