1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one

C17H23ClN2O2 — CID 155577011

IUPAC1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-4-13(5-7-14)9-15-12-22-16(10-19-15)11-20-8-2-1-3-17(20)21/h4-7,15-16,19H,1-3,8-12H2
InChIKeyODKZCRVLKRHEHL-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.25
Rot. Bonds4

About 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one

1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one (PubChem CID 155577011) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
PubChem CID155577011
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-4-13(5-7-14)9-15-12-22-16(10-19-15)11-20-8-2-1-3-17(20)21/h4-7,15-16,19H,1-3,8-12H2
InChIKeyODKZCRVLKRHEHL-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
tert-butyl (2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(2-oxopiperidin-1-yl)methyl]morpholine-4-carboxylate
CID 155765936
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
CID 155577047
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one
CID 25115768
(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
CID 158560711

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one (CID 155577011) is 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CNC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one?
The InChIKey is ODKZCRVLKRHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-6-4-13(5-7-14)9-15-12-22-16(10-19-15)11-20-8-2-1-3-17(20)21/h4-7,15-16,19H,1-3,8-12H2.
What are the key properties of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one?
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one has a molecular weight of 322.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 155577011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).