2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile

C18H24N2O — CID 43291574

IUPAC2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile
SMILESCC1CN(C2CC(c3ccccc3)CCC2C#N)CCO1
InChIInChI=1S/C18H24N2O/c1-14-13-20(9-10-21-14)18-11-16(7-8-17(18)12-19)15-5-3-2-4-6-15/h2-6,14,16-18H,7-11,13H2,1H3
InChIKeyUGDPYKBPZNFTTL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.18
Rot. Bonds2

About 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile

2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile (PubChem CID 43291574) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile
PubChem CID43291574
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile
SMILESCC1CN(C2CC(c3ccccc3)CCC2C#N)CCO1
InChIInChI=1S/C18H24N2O/c1-14-13-20(9-10-21-14)18-11-16(7-8-17(18)12-19)15-5-3-2-4-6-15/h2-6,14,16-18H,7-11,13H2,1H3
InChIKeyUGDPYKBPZNFTTL-UHFFFAOYSA-N
XLogP3.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
CID 43291512
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol
CID 104960111
2-(2-methyloxolan-3-yl)sulfanyl-4-phenylcyclohexane-1-carbonitrile
CID 107749433
2-(3,5-dimethylpyrazol-1-yl)-4-phenylcyclohexane-1-carbonitrile
CID 43292067
4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine
CID 174383794
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
CID 124711957
2-[1-cyclopropylethyl(methyl)amino]-4-phenylcyclohexane-1-carbonitrile
CID 43569121
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile
CID 79380287
2-hexoxy-4-phenylcyclohexane-1-carbonitrile
CID 43292764
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772
4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine
CID 174383793
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-phenylcyclohexane-1-carbonitrile
CID 43293128

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile (CID 43291574) is 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile is CC1CN(C2CC(c3ccccc3)CCC2C#N)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile?
The InChIKey is UGDPYKBPZNFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-13-20(9-10-21-14)18-11-16(7-8-17(18)12-19)15-5-3-2-4-6-15/h2-6,14,16-18H,7-11,13H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile?
2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile has a molecular weight of 284.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-4-phenylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).