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

C12H25ClN2O2 — CID 127264231

IUPACtert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
SMILESCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-5-9-8-14(7-6-10(9)13)11(15)16-12(2,3)4;/h9-10H,5-8,13H2,1-4H3;1H/t9-,10-;/m1./s1
InChIKeyATIIJTOXSTUYQS-DHTOPLTISA-N
MW264.80 g/mol
LogP2.40
Rot. Bonds1

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

tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride (PubChem CID 127264231) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
PubChem CID127264231
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Nametert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
SMILESCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-5-9-8-14(7-6-10(9)13)11(15)16-12(2,3)4;/h9-10H,5-8,13H2,1-4H3;1H/t9-,10-;/m1./s1
InChIKeyATIIJTOXSTUYQS-DHTOPLTISA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride (CID 127264231) is tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride is CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl.
What is the InChIKey of tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is ATIIJTOXSTUYQS-DHTOPLTISA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-5-9-8-14(7-6-10(9)13)11(15)16-12(2,3)4;/h9-10H,5-8,13H2,1-4H3;1H/t9-,10-;/m1./s1.
What are the key properties of tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride?
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 127264231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).