methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate

C19H27NO3 — CID 118561959

IUPACmethyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-22-19(21)14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-12-23-13-11-20/h6-9,15-16H,2-5,10-14H2,1H3
InChIKeyVPUMQHLGNJVXQZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate

methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate (PubChem CID 118561959) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate
PubChem CID118561959
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-22-19(21)14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-12-23-13-11-20/h6-9,15-16H,2-5,10-14H2,1H3
InChIKeyVPUMQHLGNJVXQZ-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959
methyl 2-[4-[4-(4-amino-2-methyl-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]acetate
CID 91041190
methyl 2-[4-[4-(2-chloropyrimidin-5-yl)phenyl]cyclohexyl]acetate
CID 86634684
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
CID 58064618
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
methyl (4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7777417
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
tert-butyl 4-[4-[[4-(2-methoxy-2-oxoethyl)cyclohexanecarbonyl]amino]phenyl]piperazine-1-carboxylate
CID 54470774
fluoro 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate
CID 145078268
methyl 2-[4-[4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-7-yl)phenyl]cyclohexyl]acetate
CID 58064393

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate (CID 118561959) is methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate is COC(=O)CC1CCC(c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate?
The InChIKey is VPUMQHLGNJVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-19(21)14-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-12-23-13-11-20/h6-9,15-16H,2-5,10-14H2,1H3.
What are the key properties of methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate?
methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate has a molecular weight of 317.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate is sourced from PubChem (CID 118561959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).