(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol

C13H18ClNO2 — CID 177420176

IUPAC(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-10(15-6-8-17-9-7-15)13(16)11-2-4-12(14)5-3-11/h2-5,10,13,16H,6-9H2,1H3/t10-,13+/m0/s1
InChIKeyKIRNPXKREGJISK-GXFFZTMASA-N
MW255.75 g/mol
LogP2.09
Rot. Bonds3

About (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol

(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol (PubChem CID 177420176) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
PubChem CID177420176
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-10(15-6-8-17-9-7-15)13(16)11-2-4-12(14)5-3-11/h2-5,10,13,16H,6-9H2,1H3/t10-,13+/m0/s1
InChIKeyKIRNPXKREGJISK-GXFFZTMASA-N
XLogP2.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11971899
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CID 82092700
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
CID 140989276
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
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N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 11011781
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
CID 54296941
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol (CID 177420176) is (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol is C[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol?
The InChIKey is KIRNPXKREGJISK-GXFFZTMASA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(15-6-8-17-9-7-15)13(16)11-2-4-12(14)5-3-11/h2-5,10,13,16H,6-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol?
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 177420176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).