ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate

C24H32N2O2 — CID 26013

IUPACethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C24H32N2O2/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20/h5-14,22H,4,15-19H2,1-3H3
InChIKeyRTWDXWJKZBGYIM-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.89
Rot. Bonds7

About ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 26013) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
PubChem CID26013
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Nameethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C24H32N2O2/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20/h5-14,22H,4,15-19H2,1-3H3
InChIKeyRTWDXWJKZBGYIM-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-but-2-enedioic acid;ethyl 1-[2-(diethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 20838141
(Z)-but-2-enedioic acid;ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxylate
CID 20838136
ethyl 1-[(2R)-2,4-dicyanobutyl]-4-phenylpiperidine-4-carboxylate
CID 97215021
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
CID 5021379
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
N-methyl-1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide;hydrochloride
CID 77179130
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate (CID 26013) is ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CC(c2ccccc2)N(C)C)CC1.
What is the InChIKey of ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is RTWDXWJKZBGYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20/h5-14,22H,4,15-19H2,1-3H3.
What are the key properties of ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 380.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 26013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).