1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile

C13H20N2O2 — CID 80598710

IUPAC1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15-8-2-1-4-11(15)5-9-16/h11,16H,1-9H2
InChIKeyCJRYALMXJCPTKS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile

1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 80598710) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID80598710
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15-8-2-1-4-11(15)5-9-16/h11,16H,1-9H2
InChIKeyCJRYALMXJCPTKS-UHFFFAOYSA-N
XLogP1.44
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 83056317
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 79005828
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 102780761
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748
1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80592692
(1-amino-3-methylcyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 64548999
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
[2-(2-hydroxyethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile (CID 80598710) is 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCCCC2CCO)CCC1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is CJRYALMXJCPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15-8-2-1-4-11(15)5-9-16/h11,16H,1-9H2.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 80598710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).