tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate

C15H28N2O3 — CID 50986370

IUPACtert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCO1)C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(11-13-5-4-10-19-13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyOPBQFEKVHILSDN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate (PubChem CID 50986370) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate
PubChem CID50986370
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCO1)C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(11-13-5-4-10-19-13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyOPBQFEKVHILSDN-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate (CID 50986370) is tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CC1CCCO1)C1CCNCC1.
What is the InChIKey of tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate?
The InChIKey is OPBQFEKVHILSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(11-13-5-4-10-19-13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxolan-2-ylmethyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 50986370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).