(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide

C21H26BrNO2 — CID 67518430

IUPAC(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
SMILESBr.CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2.BrH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H
InChIKeyCHNGJVWRCXAGTR-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.42
Rot. Bonds5

About (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide

(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide (PubChem CID 67518430) has the molecular formula C21H26BrNO2 and a molecular weight of 404.35 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
PubChem CID67518430
Molecular FormulaC21H26BrNO2
Molecular Weight404.35 g/mol
Exact Mass403.11
IUPAC Name(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
SMILESBr.CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2.BrH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H
InChIKeyCHNGJVWRCXAGTR-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
(1-ethylpiperidin-3-yl) N,N-dimethylcarbamate
CID 45091641
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
CID 118541578
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
CID 117238296
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide?
The IUPAC name of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide (CID 67518430) is (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide.
What is the SMILES notation for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide?
The canonical SMILES for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide is Br.CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide?
The InChIKey is CHNGJVWRCXAGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.BrH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H.
What are the key properties of (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide?
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide has a molecular weight of 404.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide is sourced from PubChem (CID 67518430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).