tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate

C22H36N2O2 — CID 165372589

IUPACtert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)C(c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1)C(C)C
InChIInChI=1S/C22H36N2O2/c1-15(2)20(16(3)4)19-14-18(8-11-23-19)17-9-12-24(13-10-17)21(25)26-22(5,6)7/h8,11,14-17,20H,9-10,12-13H2,1-7H3
InChIKeyTUWQCHMWGVLRSS-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.59
Rot. Bonds4

About tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate (PubChem CID 165372589) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
PubChem CID165372589
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Nametert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)C(c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1)C(C)C
InChIInChI=1S/C22H36N2O2/c1-15(2)20(16(3)4)19-14-18(8-11-23-19)17-9-12-24(13-10-17)21(25)26-22(5,6)7/h8,11,14-17,20H,9-10,12-13H2,1-7H3
InChIKeyTUWQCHMWGVLRSS-UHFFFAOYSA-N
XLogP5.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
CID 144544784
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate (CID 165372589) is tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate is CC(C)C(c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1)C(C)C.
What is the InChIKey of tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate?
The InChIKey is TUWQCHMWGVLRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-15(2)20(16(3)4)19-14-18(8-11-23-19)17-9-12-24(13-10-17)21(25)26-22(5,6)7/h8,11,14-17,20H,9-10,12-13H2,1-7H3.
What are the key properties of tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate has a molecular weight of 360.54 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 165372589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).