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

C11H23ClN2O2 — CID 121229157

IUPACtert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyBJRKUDHNJGUHRE-OULXEKPRSA-N
MW250.77 g/mol
LogP2.01
Rot. Bonds

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

tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride (PubChem CID 121229157) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
PubChem CID121229157
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1
InChIKeyBJRKUDHNJGUHRE-OULXEKPRSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride (CID 121229157) is tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride is C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is BJRKUDHNJGUHRE-OULXEKPRSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m0./s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride?
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 121229157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).