tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate

C15H21ClN2O2 — CID 134611090

IUPACtert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(Cl)n2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-7-11(8-10-18)12-5-4-6-13(16)17-12/h4-6,11H,7-10H2,1-3H3
InChIKeyYAWLZFBIZMMVLI-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.85
Rot. Bonds1

About tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 134611090) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
PubChem CID134611090
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nametert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(Cl)n2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-7-11(8-10-18)12-5-4-6-13(16)17-12/h4-6,11H,7-10H2,1-3H3
InChIKeyYAWLZFBIZMMVLI-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl (1R)-1-(6-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane-6-carboxylate
CID 156736141
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-[[(6-chloro-2-pyridinyl)amino]carbamoyl]piperidine-1-carboxylate
CID 84819019
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58851926
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate (CID 134611090) is tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccc(Cl)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is YAWLZFBIZMMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-7-11(8-10-18)12-5-4-6-13(16)17-12/h4-6,11H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 296.80 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 134611090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).