tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate

C15H24N2O2 — CID 68726050

IUPACtert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1=CCNC=C1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h7-9,13,16H,4-6,10-11H2,1-3H3
InChIKeyRQJGJHOVTIQZRA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds1

About tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate

tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate (PubChem CID 68726050) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate
PubChem CID68726050
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1=CCNC=C1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h7-9,13,16H,4-6,10-11H2,1-3H3
InChIKeyRQJGJHOVTIQZRA-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544138
tert-butyl 2-piperidin-4-yl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327345
Tert-butyl 4-[(4,6-difluorocyclohexa-1,3-dien-1-yl)methylamino]piperidine-1-carboxylate
CID 143382599
tert-butyl 10-fluoro-9-[(1E)-1-(methylamino)buta-1,3-dienyl]-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 169213157
tert-butyl 4-[(2S)-4-(methylamino)-2-piperidin-1-ylbutyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164673220
tert-butyl 3-[(E)-2-(azetidin-2-yl)ethenyl]-2H-pyridine-1-carboxylate
CID 21964020
tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 22128731
tert-butyl 5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 57355278
Azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium
CID 58315712
Tert-butyl 6-hydroxy-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxylate
CID 66734787
tert-butyl 3,4,4a,5,6,7-hexahydro-2H-quinoxaline-1-carboxylate
CID 66849914
tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 67255350

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate (CID 68726050) is tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1=CCNC=C1.
What is the InChIKey of tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate?
The InChIKey is RQJGJHOVTIQZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h7-9,13,16H,4-6,10-11H2,1-3H3.
What are the key properties of tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate?
tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68726050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).