tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

C16H24N2O2 — CID 171601092

IUPACtert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC1=CC=C(C2=CCNCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(13-7-9-17-10-8-13)11-18(12)15(19)20-16(2,3)4/h5-7,17H,8-11H2,1-4H3
InChIKeyJKVOCOWCGPJWGD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 171601092) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID171601092
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC1=CC=C(C2=CCNCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(13-7-9-17-10-8-13)11-18(12)15(19)20-16(2,3)4/h5-7,17H,8-11H2,1-4H3
InChIKeyJKVOCOWCGPJWGD-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-amino-2,3-difluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025238
tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544136
tert-butyl 6-piperidin-4-yl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327344
tert-butyl N-[6,10-dimethyl-2-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepin-7-yl]carbamate
CID 123605744
tert-butyl 4-[3-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 129171728
Tert-butyl 4-[(4,6-difluorocyclohexa-1,3-dien-1-yl)methylamino]piperidine-1-carboxylate
CID 143382599
tert-butyl N-[2-amino-5-[4-(dimethylamino)piperidin-1-yl]-4-fluorocyclohexa-1,5-dien-1-yl]carbamate
CID 148008303
tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-yl]carbamate
CID 155657596
tert-butyl 3-amino-5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 169772212
tert-butyl 5-[[(6Z,8R)-1,2,3,4,5,8-hexahydroazocin-8-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10881335
tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11346130
tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101060734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 171601092) is tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is CC1=CC=C(C2=CCNCC2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is JKVOCOWCGPJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-14(13-7-9-17-10-8-13)11-18(12)15(19)20-16(2,3)4/h5-7,17H,8-11H2,1-4H3.
What are the key properties of tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 171601092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).