tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate

C14H28N2O2 — CID 50986567

IUPACtert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)CN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)10-16(12-6-8-15-9-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyYEOZVJZQGRKNKE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate (PubChem CID 50986567) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
PubChem CID50986567
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)CN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)10-16(12-6-8-15-9-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyYEOZVJZQGRKNKE-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate (CID 50986567) is tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate is CC(C)CN(C(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate?
The InChIKey is YEOZVJZQGRKNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)10-16(12-6-8-15-9-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 50986567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).