cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

C13H23NO2 — CID 72861703

IUPACcyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CCC2)CC[C@]1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-14(8-7-13(12,3)16)11(15)10-5-4-6-10/h10,16H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyTUUJOHQKDBMRJW-ZDUSSCGKSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds1

About cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (PubChem CID 72861703) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
PubChem CID72861703
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CCC2)CC[C@]1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-14(8-7-13(12,3)16)11(15)10-5-4-6-10/h10,16H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyTUUJOHQKDBMRJW-ZDUSSCGKSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 122243092
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
cyclopropyl-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)methanone
CID 165447364
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (CID 72861703) is cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is CC1(C)CN(C(=O)C2CCC2)CC[C@]1(C)O.
What is the InChIKey of cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The InChIKey is TUUJOHQKDBMRJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)9-14(8-7-13(12,3)16)11(15)10-5-4-6-10/h10,16H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone has a molecular weight of 225.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 72861703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).