tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate

C17H32N2O2 — CID 68532182

IUPACtert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-8-15(9-14-19)7-12-18-10-5-4-6-11-18/h15H,4-14H2,1-3H3
InChIKeyMZOFLORHYFLGTJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate

tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate (PubChem CID 68532182) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
PubChem CID68532182
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-8-15(9-14-19)7-12-18-10-5-4-6-11-18/h15H,4-14H2,1-3H3
InChIKeyMZOFLORHYFLGTJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-piperidin-1-ylethyl)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

ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
CID 142693827
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
tert-butyl 4-[[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111417184
tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949295
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058
tert-butyl 4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 174199243
tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15383398
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate (CID 68532182) is tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate?
The InChIKey is MZOFLORHYFLGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-8-15(9-14-19)7-12-18-10-5-4-6-11-18/h15H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 68532182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).