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

C17H23NO2 — CID 10849879

IUPACbenzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCC1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-3-11-16-12-7-8-13-18(16)17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,12H,2-3,7-8,11,13-14H2,1H3
InChIKeyNYOIZURGCONTFL-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.49
Rot. Bonds5

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

benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10849879) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10849879
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCC1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-3-11-16-12-7-8-13-18(16)17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,12H,2-3,7-8,11,13-14H2,1H3
InChIKeyNYOIZURGCONTFL-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
Benzyl 3-pyrroline-1-carboxylate
CID 643471
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286
Benzyl 4-aminobutyl(3-aminopropyl)carbamate
CID 389610
benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
CID 46877990
Benzyl dimethylcarbamate
CID 12963450
Benzyl 2-(chloromethyl)piperidine-1-carboxylate
CID 54595440
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490

Frequently Asked Questions

What is the IUPAC name of benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10849879) is benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCCCC1=CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NYOIZURGCONTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-11-16-12-7-8-13-18(16)17(19)20-14-15-9-5-4-6-10-15/h4-6,9-10,12H,2-3,7-8,11,13-14H2,1H3.
What are the key properties of benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10849879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).