tert-butylcarbamic acid;1-methylpiperidine

C11H24N2O2 — CID 175506910

IUPACtert-butylcarbamic acid;1-methylpiperidine
SMILESCC(C)(C)NC(=O)O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)6-4(7)8/h2-6H2,1H3;6H,1-3H3,(H,7,8)
InChIKeyWBRKETUNYOOFIO-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.15
Rot. Bonds

About tert-butylcarbamic acid;1-methylpiperidine

tert-butylcarbamic acid;1-methylpiperidine (PubChem CID 175506910) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butylcarbamic acid;1-methylpiperidine.

Molecular Properties

Compound Nametert-butylcarbamic acid;1-methylpiperidine
PubChem CID175506910
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butylcarbamic acid;1-methylpiperidine
SMILESCC(C)(C)NC(=O)O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)6-4(7)8/h2-6H2,1H3;6H,1-3H3,(H,7,8)
InChIKeyWBRKETUNYOOFIO-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butylcarbamic acid;1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;1-methylpiperidine?
The IUPAC name of tert-butylcarbamic acid;1-methylpiperidine (CID 175506910) is tert-butylcarbamic acid;1-methylpiperidine.
What is the SMILES notation for tert-butylcarbamic acid;1-methylpiperidine?
The canonical SMILES for tert-butylcarbamic acid;1-methylpiperidine is CC(C)(C)NC(=O)O.CN1CCCCC1.
What is the InChIKey of tert-butylcarbamic acid;1-methylpiperidine?
The InChIKey is WBRKETUNYOOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)6-4(7)8/h2-6H2,1H3;6H,1-3H3,(H,7,8).
What are the key properties of tert-butylcarbamic acid;1-methylpiperidine?
tert-butylcarbamic acid;1-methylpiperidine has a molecular weight of 216.32 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;1-methylpiperidine is sourced from PubChem (CID 175506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).