(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine

C15H18ClN3O — CID 163211298

IUPAC(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
SMILESClc1ccc(C[C@H]2CO[C@@H](Cn3ccnc3)CN2)cc1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)7-14-10-20-15(8-18-14)9-19-6-5-17-11-19/h1-6,11,14-15,18H,7-10H2/t14-,15+/m0/s1
InChIKeyIWHILNWVTIDMJQ-LSDHHAIUSA-N
MW291.78 g/mol
LogP2.14
Rot. Bonds4

About (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine (PubChem CID 163211298) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
PubChem CID163211298
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
SMILESClc1ccc(C[C@H]2CO[C@@H](Cn3ccnc3)CN2)cc1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)7-14-10-20-15(8-18-14)9-19-6-5-17-11-19/h1-6,11,14-15,18H,7-10H2/t14-,15+/m0/s1
InChIKeyIWHILNWVTIDMJQ-LSDHHAIUSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23548103
2-(methoxymethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 145267911

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine?
The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine (CID 163211298) is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine is Clc1ccc(C[C@H]2CO[C@@H](Cn3ccnc3)CN2)cc1.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine?
The InChIKey is IWHILNWVTIDMJQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)7-14-10-20-15(8-18-14)9-19-6-5-17-11-19/h1-6,11,14-15,18H,7-10H2/t14-,15+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine?
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine has a molecular weight of 291.78 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine is sourced from PubChem (CID 163211298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).