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

C12H25ClN2O2 — CID 131637058

IUPACtert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-11(2,3)16-10(15)14-7-6-9(13)12(4,5)8-14;/h9H,6-8,13H2,1-5H3;1H/t9-;/m0./s1
InChIKeyQEHIMBZTDNRYOU-FVGYRXGTSA-N
MW264.80 g/mol
LogP2.40
Rot. Bonds

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

tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride (PubChem CID 131637058) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
PubChem CID131637058
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Nametert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-11(2,3)16-10(15)14-7-6-9(13)12(4,5)8-14;/h9H,6-8,13H2,1-5H3;1H/t9-;/m0./s1
InChIKeyQEHIMBZTDNRYOU-FVGYRXGTSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
1-O-tert-butyl 3-O-methyl (3R,4R)-4-amino-3-hydroxypiperidine-1,3-dicarboxylate
CID 86607892
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 5-bromo-3,3-dimethylazepane-1-carboxylate
CID 131141075

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride (CID 131637058) is tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC[C@H](N)C(C)(C)C1.Cl.
What is the InChIKey of tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is QEHIMBZTDNRYOU-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-11(2,3)16-10(15)14-7-6-9(13)12(4,5)8-14;/h9H,6-8,13H2,1-5H3;1H/t9-;/m0./s1.
What are the key properties of tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride?
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 131637058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).