tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride

C11H23ClN2O3 — CID 138393699

IUPACtert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyBNXCTBDXQMLEQA-OULXEKPRSA-N
MW266.77 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride

tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride (PubChem CID 138393699) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
PubChem CID138393699
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Nametert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyBNXCTBDXQMLEQA-OULXEKPRSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
CID 143402030
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride (CID 138393699) is tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride is CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.Cl.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride?
The InChIKey is BNXCTBDXQMLEQA-OULXEKPRSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride?
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 138393699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).