tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid

C12H24N2O2 — CID 68502572

IUPACtert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid
SMILESC[C@@H]1CCC[C@H](CN(C(=O)O)C(C)(C)C)N1
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-10(13-9)8-14(11(15)16)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyKNVUFBIUFHSPBL-NXEZZACHSA-N
MW228.34 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid

tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid (PubChem CID 68502572) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid
PubChem CID68502572
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid
SMILESC[C@@H]1CCC[C@H](CN(C(=O)O)C(C)(C)C)N1
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-10(13-9)8-14(11(15)16)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyKNVUFBIUFHSPBL-NXEZZACHSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid (CID 68502572) is tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid is C[C@@H]1CCC[C@H](CN(C(=O)O)C(C)(C)C)N1.
What is the InChIKey of tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid?
The InChIKey is KNVUFBIUFHSPBL-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-5-7-10(13-9)8-14(11(15)16)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid?
tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,6R)-6-methylpiperidin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 68502572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).