tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate

C12H24N2O3 — CID 86648467

IUPACtert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
SMILESCCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H24N2O3/c1-5-16-10-8-14(7-6-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m0/s1
InChIKeySCCDVSKVKURXSP-VHSXEESVSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds2

About tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate

tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate (PubChem CID 86648467) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
PubChem CID86648467
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
SMILESCCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H24N2O3/c1-5-16-10-8-14(7-6-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m0/s1
InChIKeySCCDVSKVKURXSP-VHSXEESVSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
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,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate (CID 86648467) is tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate is CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate?
The InChIKey is SCCDVSKVKURXSP-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-10-8-14(7-6-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate?
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 2 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-ethoxypiperidine-1-carboxylate is sourced from PubChem (CID 86648467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).