tert-butyl 4-butyl-4H-pyridine-1-carboxylate

C14H23NO2 — CID 10538187

IUPACtert-butyl 4-butyl-4H-pyridine-1-carboxylate
SMILESCCCCC1C=CN(C(=O)OC(C)(C)C)C=C1
InChIInChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyCFPRAZKWSWKXLE-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.07
Rot. Bonds3

About tert-butyl 4-butyl-4H-pyridine-1-carboxylate

tert-butyl 4-butyl-4H-pyridine-1-carboxylate (PubChem CID 10538187) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 4-butyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-butyl-4H-pyridine-1-carboxylate
PubChem CID10538187
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 4-butyl-4H-pyridine-1-carboxylate
SMILESCCCCC1C=CN(C(=O)OC(C)(C)C)C=C1
InChIInChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyCFPRAZKWSWKXLE-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylate
CID 10465102
tert-butyl 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101898071
1-t-Butoxycarbonyl-1,4-dihydro-pyridine
CID 10511789
tert-butyl (3S)-3-(fluoromethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 146323827
methyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12853361
Tert-butyl 3-prop-2-enyl-2,3-dihydropyrrole-1-carboxylate
CID 134934553
tert-butyl (3S)-3-prop-2-enyl-2,3-dihydropyrrole-1-carboxylate
CID 134992816
tert-butyl 4-butyl-2-methylsulfanyl-4H-pyridine-1-carboxylate
CID 13032563
ethyl 4-pentyl-4H-pyridine-1-carboxylate
CID 13418206
tert-butyl 4-ethyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 14868070
tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate
CID 19991447
tert-butyl N-(5-methylhex-1-enyl)carbamate
CID 54088816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-butyl-4H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-butyl-4H-pyridine-1-carboxylate (CID 10538187) is tert-butyl 4-butyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-butyl-4H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-butyl-4H-pyridine-1-carboxylate is CCCCC1C=CN(C(=O)OC(C)(C)C)C=C1.
What is the InChIKey of tert-butyl 4-butyl-4H-pyridine-1-carboxylate?
The InChIKey is CFPRAZKWSWKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 4-butyl-4H-pyridine-1-carboxylate?
tert-butyl 4-butyl-4H-pyridine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-butyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 10538187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).