(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine

C17H19ClN2O — CID 95553285

IUPAC(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
SMILESClc1ccc([C@H]2CN(CCc3ccccn3)CCO2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-6-4-14(5-7-15)17-13-20(11-12-21-17)10-8-16-3-1-2-9-19-16/h1-7,9,17H,8,10-13H2/t17-/m1/s1
InChIKeyJQQQWDHUILAPIJ-QGZVFWFLSA-N
MW302.81 g/mol
LogP3.35
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine

(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine (PubChem CID 95553285) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
PubChem CID95553285
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
SMILESClc1ccc([C@H]2CN(CCc3ccccn3)CCO2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-6-4-14(5-7-15)17-13-20(11-12-21-17)10-8-16-3-1-2-9-19-16/h1-7,9,17H,8,10-13H2/t17-/m1/s1
InChIKeyJQQQWDHUILAPIJ-QGZVFWFLSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]morpholine
CID 56871877
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386
(2S)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304387
(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
CID 124749992
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine (CID 95553285) is (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine is Clc1ccc([C@H]2CN(CCc3ccccn3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine?
The InChIKey is JQQQWDHUILAPIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-6-4-14(5-7-15)17-13-20(11-12-21-17)10-8-16-3-1-2-9-19-16/h1-7,9,17H,8,10-13H2/t17-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine?
(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine has a molecular weight of 302.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine is sourced from PubChem (CID 95553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).