(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

C24H32ClNO3 — CID 57376749

IUPAC(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC1CCN(CC)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO3.ClH/c1-3-25-17-15-20(16-18-25)19-27-23(26)24(28-4-2,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,20H,3-4,15-19H2,1-2H3;1H
InChIKeyKFKXXNRCHAGKAD-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.66
Rot. Bonds8

About (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 57376749) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID57376749
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC1CCN(CC)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO3.ClH/c1-3-25-17-15-20(16-18-25)19-27-23(26)24(28-4-2,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,20H,3-4,15-19H2,1-2H3;1H
InChIKeyKFKXXNRCHAGKAD-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
[(3R)-2-oxooxolan-3-yl] 2-ethoxy-2,2-diphenylacetate
CID 7683863
[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride
CID 6603035
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
(1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxyacetate chloride
CID 18567
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
ethyl 2-(1-methylpyrrolidin-3-yl)oxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]acetate
CID 154179479

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 57376749) is (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCC1CCN(CC)CC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is KFKXXNRCHAGKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.ClH/c1-3-25-17-15-20(16-18-25)19-27-23(26)24(28-4-2,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,20H,3-4,15-19H2,1-2H3;1H.
What are the key properties of (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 57376749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).