2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride

C18H26ClNO3 — CID 22873287

IUPAC2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)[C@@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C18H25NO3.ClH/c20-18(21)17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)19-10-12-22-13-11-19;/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21);1H/t15-,16-,17?;/m1./s1
InChIKeyVFBYDRWKCGNIAT-OASRYDDSSA-N
MW339.86 g/mol
LogP3.17
Rot. Bonds4

About 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride

2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride (PubChem CID 22873287) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
PubChem CID22873287
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)[C@@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C18H25NO3.ClH/c20-18(21)17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)19-10-12-22-13-11-19;/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21);1H/t15-,16-,17?;/m1./s1
InChIKeyVFBYDRWKCGNIAT-OASRYDDSSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]acetic acid;hydrochloride
CID 22873280
4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine
CID 21110196
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
(1S)-1-[(1R,2S)-2-morpholin-4-ylcyclopentyl]ethanol
CID 11896394
2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid
CID 19042799
(R)-furan-2-yl-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
CID 102415614
(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
CID 125467242
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone
CID 57181681
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
CID 82037392
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride?
The IUPAC name of 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride (CID 22873287) is 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride is Cl.O=C(O)C(c1ccccc1)[C@@H]1CCCC[C@H]1N1CCOCC1.
What is the InChIKey of 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride?
The InChIKey is VFBYDRWKCGNIAT-OASRYDDSSA-N. The full InChI is InChI=1S/C18H25NO3.ClH/c20-18(21)17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)19-10-12-22-13-11-19;/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21);1H/t15-,16-,17?;/m1./s1.
What are the key properties of 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride?
2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride has a molecular weight of 339.86 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-morpholin-4-ylcyclohexyl]-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 22873287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).