cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C17H30N2O2 — CID 155721174

IUPACcyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-13-11-16(20)7-10-19(13)12-14-5-8-18(9-6-14)17(21)15-3-2-4-15/h13-16,20H,2-12H2,1H3
InChIKeyGHATYTNSSPWNHF-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.87
Rot. Bonds3

About cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 155721174) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID155721174
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Namecyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-13-11-16(20)7-10-19(13)12-14-5-8-18(9-6-14)17(21)15-3-2-4-15/h13-16,20H,2-12H2,1H3
InChIKeyGHATYTNSSPWNHF-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110197494
1-(3-Hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 124045575
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
(4-Hydroxypiperidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 84458625
3-Cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 150213622
Ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
CID 153349821
cyclobutyl-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286575
1-[4-[[(2R,3R,4R)-3,4-dihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 155302773
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017
2-Cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 155721028
Cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721055
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 155721174) is cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is CC1CC(O)CCN1CC1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is GHATYTNSSPWNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-11-16(20)7-10-19(13)12-14-5-8-18(9-6-14)17(21)15-3-2-4-15/h13-16,20H,2-12H2,1H3.
What are the key properties of cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155721174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).