tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate

C16H24N2O2 — CID 135135280

IUPACtert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(7-8-17-12)14-6-5-9-18(11-14)15(19)20-16(2,3)4/h7-8,10,14H,5-6,9,11H2,1-4H3
InChIKeyTYBMBLXBSLGUNQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds1

About tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate

tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate (PubChem CID 135135280) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
PubChem CID135135280
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(7-8-17-12)14-6-5-9-18(11-14)15(19)20-16(2,3)4/h7-8,10,14H,5-6,9,11H2,1-4H3
InChIKeyTYBMBLXBSLGUNQ-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
CID 153291320
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate (CID 135135280) is tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate is Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccn1.
What is the InChIKey of tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate?
The InChIKey is TYBMBLXBSLGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-13(7-8-17-12)14-6-5-9-18(11-14)15(19)20-16(2,3)4/h7-8,10,14H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate?
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 135135280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).