tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate

C15H28N2O2 — CID 11747599

IUPACtert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h12-13,16H,4-11H2,1-3H3
InChIKeyNERBLCVCQKXTEP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate (PubChem CID 11747599) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate
PubChem CID11747599
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h12-13,16H,4-11H2,1-3H3
InChIKeyNERBLCVCQKXTEP-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
1-Boc-3-(aminomethyl)piperidine
CID 2756483
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
CID 4362805
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
Tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
CID 16228837
Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
N-Boc-N'-Boc-4,4'-bipiperidine
CID 44523441
tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502022
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate (CID 11747599) is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate?
The InChIKey is NERBLCVCQKXTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate?
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 11747599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).