tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride

C11H23ClN2O2 — CID 166638368

IUPACtert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8-9(12)6-5-7-13(8)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9-;/m1./s1
InChIKeyVTQXYMDBUNVUOM-VTLYIQCISA-N
MW250.77 g/mol
LogP2.15
Rot. Bonds

About tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride

tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride (PubChem CID 166638368) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
PubChem CID166638368
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8-9(12)6-5-7-13(8)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9-;/m1./s1
InChIKeyVTQXYMDBUNVUOM-VTLYIQCISA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate
CID 59094969
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
CID 155895330
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
1-O-tert-butyl 3-O-methyl 2-methylpiperidine-1,3-dicarboxylate
CID 90404337
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
CID 82379100
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride (CID 166638368) is tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride is C[C@@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is VTQXYMDBUNVUOM-VTLYIQCISA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8-9(12)6-5-7-13(8)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9-;/m1./s1.
What are the key properties of tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 166638368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).