2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile

C17H22N2O — CID 43291512

IUPAC2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2ccccc2)CC1N1CCOCC1
InChIInChI=1S/C17H22N2O/c18-13-16-7-6-15(14-4-2-1-3-5-14)12-17(16)19-8-10-20-11-9-19/h1-5,15-17H,6-12H2
InChIKeyARTHKLUBBWIXKH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.79
Rot. Bonds2

About 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile

2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile (PubChem CID 43291512) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
PubChem CID43291512
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2ccccc2)CC1N1CCOCC1
InChIInChI=1S/C17H22N2O/c18-13-16-7-6-15(14-4-2-1-3-5-14)12-17(16)19-8-10-20-11-9-19/h1-5,15-17H,6-12H2
InChIKeyARTHKLUBBWIXKH-UHFFFAOYSA-N
XLogP2.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile (CID 43291512) is 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile is N#CC1CCC(c2ccccc2)CC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile?
The InChIKey is ARTHKLUBBWIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-13-16-7-6-15(14-4-2-1-3-5-14)12-17(16)19-8-10-20-11-9-19/h1-5,15-17H,6-12H2.
What are the key properties of 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile?
2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).