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

C17H34N2O2 — CID 143701375

IUPACtert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2.C2H6/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2/h12-13,16H,4-11H2,1-3H3;1-2H3
InChIKeyONPYHVQZICFHGO-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds1

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

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane (PubChem CID 143701375) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane
PubChem CID143701375
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2.C2H6/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2/h12-13,16H,4-11H2,1-3H3;1-2H3
InChIKeyONPYHVQZICFHGO-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane (CID 143701375) is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane?
The InChIKey is ONPYHVQZICFHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.C2H6/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2/h12-13,16H,4-11H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane?
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethane has a molecular weight of 298.47 g/mol, XLogP of 3.66, 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;ethane is sourced from PubChem (CID 143701375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).