[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone

C17H23NO2 — CID 43421113

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESO=C(N1CCCCC1CO)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23NO2/c19-13-15-9-4-5-12-18(15)16(20)17(10-6-11-17)14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13H2
InChIKeyGBZINDAKQUSXGI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone (PubChem CID 43421113) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
PubChem CID43421113
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESO=C(N1CCCCC1CO)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23NO2/c19-13-15-9-4-5-12-18(15)16(20)17(10-6-11-17)14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13H2
InChIKeyGBZINDAKQUSXGI-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
CID 110436785
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
CID 130330385
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone (CID 43421113) is [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone is O=C(N1CCCCC1CO)C1(c2ccccc2)CCC1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The InChIKey is GBZINDAKQUSXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-13-15-9-4-5-12-18(15)16(20)17(10-6-11-17)14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 43421113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).