ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate

C15H19NO2 — CID 787906

IUPACethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3
InChIKeyHPBHOJNKSYJCRT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds4

About ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate

ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 787906) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID787906
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3
InChIKeyHPBHOJNKSYJCRT-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
CID 3304100
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
3-amino-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)but-2-enenitrile
CID 69270094
1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051141
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691472
ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
CID 102228953
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003157

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 787906) is ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate is CCOC(=O)C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is HPBHOJNKSYJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3.
What are the key properties of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate?
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 787906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).