tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate

C17H28N2O2 — CID 163704330

IUPACtert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate
SMILESCC1(C)CC(C2CCCN(C(=O)OC(C)(C)C)C2)=CC=N1
InChIInChI=1S/C17H28N2O2/c1-16(2,3)21-15(20)19-10-6-7-14(12-19)13-8-9-18-17(4,5)11-13/h8-9,14H,6-7,10-12H2,1-5H3
InChIKeyKDSJEWYMULKQTL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.81
Rot. Bonds1

About tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate

tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate (PubChem CID 163704330) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate
PubChem CID163704330
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate
SMILESCC1(C)CC(C2CCCN(C(=O)OC(C)(C)C)C2)=CC=N1
InChIInChI=1S/C17H28N2O2/c1-16(2,3)21-15(20)19-10-6-7-14(12-19)13-8-9-18-17(4,5)11-13/h8-9,14H,6-7,10-12H2,1-5H3
InChIKeyKDSJEWYMULKQTL-UHFFFAOYSA-N
XLogP3.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)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 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl (3S)-3-(2H-triazol-4-yl)azepane-1-carboxylate
CID 155904354
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 110162076
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate
CID 115050025

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate (CID 163704330) is tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate is CC1(C)CC(C2CCCN(C(=O)OC(C)(C)C)C2)=CC=N1.
What is the InChIKey of tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate?
The InChIKey is KDSJEWYMULKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)21-15(20)19-10-6-7-14(12-19)13-8-9-18-17(4,5)11-13/h8-9,14H,6-7,10-12H2,1-5H3.
What are the key properties of tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate?
tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dimethyl-3H-pyridin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 163704330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).