tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate

C15H22ClN3O2 — CID 170307138

IUPACtert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(Cl)ccc2N)CC1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-10(7-9-19)13-11(17)4-5-12(16)18-13/h4-5,10H,6-9,17H2,1-3H3
InChIKeyHJWOMYXBMIZKTL-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.43
Rot. Bonds1

About tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 170307138) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
PubChem CID170307138
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Nametert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(Cl)ccc2N)CC1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-10(7-9-19)13-11(17)4-5-12(16)18-13/h4-5,10H,6-9,17H2,1-3H3
InChIKeyHJWOMYXBMIZKTL-UHFFFAOYSA-N
XLogP3.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(3-amino-5,6-dichloro-2-pyridinyl)piperidine-1-carboxylate
CID 87421836
tert-butyl 4-(3-amino-6-chloro-5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 87246879
tert-butyl 4-[3-amino-6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate
CID 87246935
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 3-(2-amino-6-chloropyrido[3,2-d]pyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 175342359
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate (CID 170307138) is tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(Cl)ccc2N)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is HJWOMYXBMIZKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-10(7-9-19)13-11(17)4-5-12(16)18-13/h4-5,10H,6-9,17H2,1-3H3.
What are the key properties of tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 311.81 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 170307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).