tert-butyl(piperidin-2-ylmethyl)carbamic acid

C11H22N2O2 — CID 53421359

IUPACtert-butyl(piperidin-2-ylmethyl)carbamic acid
SMILESCC(C)(C)N(CC1CCCCN1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIRUDRFNHOCCJMX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl(piperidin-2-ylmethyl)carbamic acid

tert-butyl(piperidin-2-ylmethyl)carbamic acid (PubChem CID 53421359) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl(piperidin-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(piperidin-2-ylmethyl)carbamic acid
PubChem CID53421359
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl(piperidin-2-ylmethyl)carbamic acid
SMILESCC(C)(C)N(CC1CCCCN1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIRUDRFNHOCCJMX-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(piperidin-2-ylmethyl)carbamic acid?
The IUPAC name of tert-butyl(piperidin-2-ylmethyl)carbamic acid (CID 53421359) is tert-butyl(piperidin-2-ylmethyl)carbamic acid.
What is the SMILES notation for tert-butyl(piperidin-2-ylmethyl)carbamic acid?
The canonical SMILES for tert-butyl(piperidin-2-ylmethyl)carbamic acid is CC(C)(C)N(CC1CCCCN1)C(=O)O.
What is the InChIKey of tert-butyl(piperidin-2-ylmethyl)carbamic acid?
The InChIKey is IRUDRFNHOCCJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl(piperidin-2-ylmethyl)carbamic acid?
tert-butyl(piperidin-2-ylmethyl)carbamic acid has a molecular weight of 214.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(piperidin-2-ylmethyl)carbamic acid is sourced from PubChem (CID 53421359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).