1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile

C18H24N2O2 — CID 23133668

IUPAC1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)20-9-11-22-12-10-20/h2-4,13,16H,5-12H2,1H3
InChIKeyRYQMZUGOPRUWOD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile

1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile (PubChem CID 23133668) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
PubChem CID23133668
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)20-9-11-22-12-10-20/h2-4,13,16H,5-12H2,1H3
InChIKeyRYQMZUGOPRUWOD-UHFFFAOYSA-N
XLogP2.73
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
4-[4-cyano-4-(3-phenylmethoxyphenyl)cyclohexyl]piperazine-1-carboxylic acid
CID 69453939
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzenesulfonamide
CID 23133806
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile (CID 23133668) is 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile is COc1cccc(C2(C#N)CCC(N3CCOCC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is RYQMZUGOPRUWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-21-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)20-9-11-22-12-10-20/h2-4,13,16H,5-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile?
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 300.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 23133668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).