3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol

C16H24ClNO2 — CID 155765794

IUPAC3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C16H24ClNO2/c1-3-16(19,4-2)15-10-18-14(11-20-15)9-12-5-7-13(17)8-6-12/h5-8,14-15,18-19H,3-4,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyYCKXPGNRYSBVHY-LSDHHAIUSA-N
MW297.83 g/mol
LogP2.79
Rot. Bonds5

About 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol

3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol (PubChem CID 155765794) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
PubChem CID155765794
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C16H24ClNO2/c1-3-16(19,4-2)15-10-18-14(11-20-15)9-12-5-7-13(17)8-6-12/h5-8,14-15,18-19H,3-4,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyYCKXPGNRYSBVHY-LSDHHAIUSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126641966
(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
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
CID 126641906
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
[1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]-2,2,2-trifluoroethoxy]-phenoxymethanethione
CID 155577109
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
CID 154520608

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol?
The IUPAC name of 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol (CID 155765794) is 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol.
What is the SMILES notation for 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol?
The canonical SMILES for 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol is CCC(O)(CC)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol?
The InChIKey is YCKXPGNRYSBVHY-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-16(19,4-2)15-10-18-14(11-20-15)9-12-5-7-13(17)8-6-12/h5-8,14-15,18-19H,3-4,9-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol?
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol has a molecular weight of 297.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol is sourced from PubChem (CID 155765794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).