1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C20H33N3O2 — CID 111450418

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCC(CCO)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C20H33N3O2/c1-19(2)12-17(13-20(3,4)23-19)22-18(25)21-14-16(10-11-24)15-8-6-5-7-9-15/h5-9,16-17,23-24H,10-14H2,1-4H3,(H2,21,22,25)
InChIKeyDISIWWXRLKJEDX-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 111450418) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID111450418
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCC(CCO)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C20H33N3O2/c1-19(2)12-17(13-20(3,4)23-19)22-18(25)21-14-16(10-11-24)15-8-6-5-7-9-15/h5-9,16-17,23-24H,10-14H2,1-4H3,(H2,21,22,25)
InChIKeyDISIWWXRLKJEDX-UHFFFAOYSA-N
XLogP2.76
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503774
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 154834109
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 111450418) is 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NCC(CCO)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is DISIWWXRLKJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-19(2)12-17(13-20(3,4)23-19)22-18(25)21-14-16(10-11-24)15-8-6-5-7-9-15/h5-9,16-17,23-24H,10-14H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 347.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 111450418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).