ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate

C19H27NO2 — CID 11695145

IUPACethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(Cc2ccccc2)C=C1C(C)C
InChIInChI=1S/C19H27NO2/c1-4-22-19(21)12-17-10-11-20(14-18(17)15(2)3)13-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyJPQYVXFVYAMSMK-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.00
Rot. Bonds6

About ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate

ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate (PubChem CID 11695145) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
PubChem CID11695145
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Nameethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(Cc2ccccc2)C=C1C(C)C
InChIInChI=1S/C19H27NO2/c1-4-22-19(21)12-17-10-11-20(14-18(17)15(2)3)13-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyJPQYVXFVYAMSMK-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[1-benzyl-4-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-pyridin-5-yl]butanoate
CID 102172234
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
CID 91161439
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-[(2R,3R)-1-benzyl-2-tert-butylpyrrolidin-3-yl]acetate
CID 146168791
ethyl 2-(1-benzylimidazolidin-2-yl)acetate
CID 134875618
(5Z,7E)-1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-azocine-7-carboxylic acid
CID 102466005
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
ethyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate;dihydrate
CID 159626806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate (CID 11695145) is ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate is CCOC(=O)CC1CCN(Cc2ccccc2)C=C1C(C)C.
What is the InChIKey of ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate?
The InChIKey is JPQYVXFVYAMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-22-19(21)12-17-10-11-20(14-18(17)15(2)3)13-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3.
What are the key properties of ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate?
ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate has a molecular weight of 301.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate is sourced from PubChem (CID 11695145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).