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

C16H33N3O2 — CID 111337745

IUPAC1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCC(C)C(O)CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-7-11(2)13(20)10-17-14(21)18-12-8-15(3,4)19-16(5,6)9-12/h11-13,19-20H,7-10H2,1-6H3,(H2,17,18,21)
InChIKeyLBEDHHFMONFZDM-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.00
Rot. Bonds5

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

1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 111337745) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID111337745
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCC(C)C(O)CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-7-11(2)13(20)10-17-14(21)18-12-8-15(3,4)19-16(5,6)9-12/h11-13,19-20H,7-10H2,1-6H3,(H2,17,18,21)
InChIKeyLBEDHHFMONFZDM-UHFFFAOYSA-N
XLogP2.00
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.00
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-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 54455587
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108890764
1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 126454365
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695
3-methyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 123799217
2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethoxy]acetic acid
CID 61328036

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 111337745) is 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCC(C)C(O)CNC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is LBEDHHFMONFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-7-11(2)13(20)10-17-14(21)18-12-8-15(3,4)19-16(5,6)9-12/h11-13,19-20H,7-10H2,1-6H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 299.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 111337745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).