tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate

C12H24N2O2 — CID 63305138

IUPACtert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate
SMILESCC1CCCNC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-13-10(9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyAYNCOHNAZBUURJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate

tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate (PubChem CID 63305138) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate
PubChem CID63305138
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate
SMILESCC1CCCNC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-13-10(9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyAYNCOHNAZBUURJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate (CID 63305138) is tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate is CC1CCCNC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate?
The InChIKey is AYNCOHNAZBUURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-5-7-13-10(9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 63305138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).