tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride

C12H24ClNO2 — CID 122155903

IUPACtert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride
SMILESC[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)N1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5;/h8-10,13H,6-7H2,1-5H3;1H/t8-,9+,10+;/m1./s1
InChIKeyYDDXBXDYPGKHTP-RDTSDOJCSA-N
MW249.78 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride

tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride (PubChem CID 122155903) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride
PubChem CID122155903
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Nametert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride
SMILESC[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)N1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5;/h8-10,13H,6-7H2,1-5H3;1H/t8-,9+,10+;/m1./s1
InChIKeyYDDXBXDYPGKHTP-RDTSDOJCSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride (CID 122155903) is tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride is C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)N1.Cl.
What is the InChIKey of tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is YDDXBXDYPGKHTP-RDTSDOJCSA-N. The full InChI is InChI=1S/C12H23NO2.ClH/c1-8-6-7-10(9(2)13-8)11(14)15-12(3,4)5;/h8-10,13H,6-7H2,1-5H3;1H/t8-,9+,10+;/m1./s1.
What are the key properties of tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride?
tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,6R)-2,6-dimethylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 122155903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).