tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid

C11H22N2O2 — CID 66990913

IUPACtert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
SMILESC[C@@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13(10(14)15)11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyCJRDMFPSHPWTHH-BDAKNGLRSA-N
MW214.31 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid

tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid (PubChem CID 66990913) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
PubChem CID66990913
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
SMILESC[C@@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13(10(14)15)11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyCJRDMFPSHPWTHH-BDAKNGLRSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid (CID 66990913) is tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid is C[C@@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CN1.
What is the InChIKey of tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid?
The InChIKey is CJRDMFPSHPWTHH-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13(10(14)15)11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid?
tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid has a molecular weight of 214.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 66990913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).