[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

C16H21ClN2O2 — CID 119318503

IUPAC[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c17-14-6-2-1-5-13(14)15-11-19(8-9-21-15)16(20)12-4-3-7-18-10-12/h1-2,5-6,12,15,18H,3-4,7-11H2
InChIKeyFTZNURIUMSAIIL-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.24
Rot. Bonds2

About [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (PubChem CID 119318503) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
PubChem CID119318503
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c17-14-6-2-1-5-13(14)15-11-19(8-9-21-15)16(20)12-4-3-7-18-10-12/h1-2,5-6,12,15,18H,3-4,7-11H2
InChIKeyFTZNURIUMSAIIL-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
[2-(2-chlorophenyl)morpholin-4-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119774918
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (CID 119318503) is [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The InChIKey is FTZNURIUMSAIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-6-2-1-5-13(14)15-11-19(8-9-21-15)16(20)12-4-3-7-18-10-12/h1-2,5-6,12,15,18H,3-4,7-11H2.
What are the key properties of [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone has a molecular weight of 308.81 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).