2-morpholin-4-ylcyclohexane-1-carbonitrile

C11H18N2O — CID 43291520

IUPAC2-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCOCC1
InChIInChI=1S/C11H18N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h10-11H,1-8H2
InChIKeyBEBYGFJRDVIWEG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds1

About 2-morpholin-4-ylcyclohexane-1-carbonitrile

2-morpholin-4-ylcyclohexane-1-carbonitrile (PubChem CID 43291520) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-morpholin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-ylcyclohexane-1-carbonitrile
PubChem CID43291520
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCOCC1
InChIInChI=1S/C11H18N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h10-11H,1-8H2
InChIKeyBEBYGFJRDVIWEG-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291712
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 61441141
2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
CID 55166038
2-(1,1-dioxo-1,4-thiazinan-4-yl)cycloheptane-1-carbonitrile
CID 43581425
2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
CID 43291512
3-(2-morpholin-4-ylcyclohexyl)propanenitrile
CID 13398809
2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile
CID 55166035
2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 43585250
2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 61420857
2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 63973853
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 2-morpholin-4-ylcyclohexane-1-carbonitrile (CID 43291520) is 2-morpholin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-morpholin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-morpholin-4-ylcyclohexane-1-carbonitrile is N#CC1CCCCC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is BEBYGFJRDVIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h10-11H,1-8H2.
What are the key properties of 2-morpholin-4-ylcyclohexane-1-carbonitrile?
2-morpholin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).