tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate

C19H31N3O2 — CID 102540145

IUPACtert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)CNc1ncccc1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-14(2)13-21-17-15(9-8-11-20-17)16-10-6-7-12-22(16)18(23)24-19(3,4)5/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3,(H,20,21)
InChIKeyBUEZITDDUVQKGB-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 102540145) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID102540145
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)CNc1ncccc1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-14(2)13-21-17-15(9-8-11-20-17)16-10-6-7-12-22(16)18(23)24-19(3,4)5/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3,(H,20,21)
InChIKeyBUEZITDDUVQKGB-UHFFFAOYSA-N
XLogP4.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 102540130
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540161
tert-butyl (2S)-2-[2-(2-methylpropyl)phenyl]pyrrolidine-1-carboxylate
CID 164551544
tert-butyl 2-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541425
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
tert-butyl 2-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 155600402
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl 2-[[(2-methyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 106634097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate (CID 102540145) is tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate is CC(C)CNc1ncccc1C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is BUEZITDDUVQKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)13-21-17-15(9-8-11-20-17)16-10-6-7-12-22(16)18(23)24-19(3,4)5/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 333.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 102540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).