tert-butyl N-(piperidin-3-ylmethyl)carbamate

C11H22N2O2 — CID 2756030

IUPACtert-butyl N-(piperidin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyKHPQHXGYYXYTDN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-(piperidin-3-ylmethyl)carbamate

tert-butyl N-(piperidin-3-ylmethyl)carbamate (PubChem CID 2756030) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(piperidin-3-ylmethyl)carbamate
PubChem CID2756030
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-(piperidin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyKHPQHXGYYXYTDN-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(piperidin-3-ylmethyl)carbamate (CID 2756030) is tert-butyl N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(piperidin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CCCNC1.
What is the InChIKey of tert-butyl N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is KHPQHXGYYXYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(piperidin-3-ylmethyl)carbamate?
tert-butyl N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 2756030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).