ethyl 1-benzhydrylpiperidine-2-carboxylate

C21H25NO2 — CID 11461470

IUPACethyl 1-benzhydrylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)19-15-9-10-16-22(19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20H,2,9-10,15-16H2,1H3
InChIKeyUCPJMUDTVQFMLZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.19
Rot. Bonds5

About ethyl 1-benzhydrylpiperidine-2-carboxylate

ethyl 1-benzhydrylpiperidine-2-carboxylate (PubChem CID 11461470) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 1-benzhydrylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzhydrylpiperidine-2-carboxylate
PubChem CID11461470
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethyl 1-benzhydrylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)19-15-9-10-16-22(19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20H,2,9-10,15-16H2,1H3
InChIKeyUCPJMUDTVQFMLZ-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester
CID 9891805
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 1-phenethyl-3-phenyl-propyl ester
CID 15380471
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(4-methylpiperidin-1-yl)-2-phenylpropanoate
CID 24988641
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-piperidin-1-ylpropanoate
CID 24988644
N-Benzylmethylphenidate
CID 52948224
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 3,3-diphenyl-propyl ester
CID 44295523
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 24988273
(1-Methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 57400423
Piprocurarium Iodide
CID 24418
Dipiproverine Hydrochloride
CID 72071

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzhydrylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-benzhydrylpiperidine-2-carboxylate (CID 11461470) is ethyl 1-benzhydrylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-benzhydrylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-benzhydrylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 1-benzhydrylpiperidine-2-carboxylate?
The InChIKey is UCPJMUDTVQFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-24-21(23)19-15-9-10-16-22(19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20H,2,9-10,15-16H2,1H3.
What are the key properties of ethyl 1-benzhydrylpiperidine-2-carboxylate?
ethyl 1-benzhydrylpiperidine-2-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzhydrylpiperidine-2-carboxylate is sourced from PubChem (CID 11461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).