2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride

C12H15Cl2NO3 — CID 53420760

IUPAC2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO3.ClH/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14;/h1-4,11H,5-8H2,(H,15,16);1H
InChIKeyYNKMSKZQKPLVBX-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride

2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (PubChem CID 53420760) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
PubChem CID53420760
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO3.ClH/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14;/h1-4,11H,5-8H2,(H,15,16);1H
InChIKeyYNKMSKZQKPLVBX-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholinopropan-2-yl 2-(4-chlorophenyl)acetate hydrochloride
CID 2928075
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-ylpropanoate
CID 24988642
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
Bietamiverine Hydrochloride
CID 72063
Bietamiverine dihydrochloride
CID 197773
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
(S)-2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercapto-1,2,5,6-tetrahydropyridin-3-yl)acetic acid
CID 165361851
1-(Piperidin-1-yl)propan-2-yl (4-chlorophenyl)acetate
CID 646165
(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid
CID 341212

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (CID 53420760) is 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride is Cl.O=C(O)C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The InChIKey is YNKMSKZQKPLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3.ClH/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14;/h1-4,11H,5-8H2,(H,15,16);1H.
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride has a molecular weight of 292.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride is sourced from PubChem (CID 53420760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).