[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone

C17H23NO2 — CID 125474477

IUPAC[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23NO2/c19-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18-10-12-20-13-11-18/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16+/m1/s1
InChIKeyZFPMXCFWZIVCBU-CVEARBPZSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds3

About [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone

[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone (PubChem CID 125474477) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
PubChem CID125474477
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23NO2/c19-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18-10-12-20-13-11-18/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16+/m1/s1
InChIKeyZFPMXCFWZIVCBU-CVEARBPZSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125473639
(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 59992050
2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
CID 22873287
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
(2-chlorocyclohexyl)-phenylmethanone
CID 15563657
morpholin-4-yl-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474305
N-[2-(morpholine-4-carbonyl)cyclohexyl]benzamide
CID 154704792
ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
CID 156806223
2-benzoylcyclohexane-1-carbaldehyde
CID 174762479
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone?
The IUPAC name of [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone (CID 125474477) is [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone.
What is the SMILES notation for [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone?
The canonical SMILES for [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1CCCC[C@@H]1N1CCOCC1.
What is the InChIKey of [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone?
The InChIKey is ZFPMXCFWZIVCBU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18-10-12-20-13-11-18/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16+/m1/s1.
What are the key properties of [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone?
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone is sourced from PubChem (CID 125474477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).