tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate

C12H24N2O3 — CID 75355534

IUPACtert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
SMILESCCOC1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C12H24N2O3/c1-5-16-10-6-7-14(8-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyNTBWLRYKZRIXOK-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds2

About tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate

tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate (PubChem CID 75355534) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
PubChem CID75355534
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
SMILESCCOC1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C12H24N2O3/c1-5-16-10-6-7-14(8-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyNTBWLRYKZRIXOK-UHFFFAOYSA-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 (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl (3R,4R)-3-amino-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 166100800
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate (CID 75355534) is tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate is CCOC1CCN(C(=O)OC(C)(C)C)CC1N.
What is the InChIKey of tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate?
The InChIKey is NTBWLRYKZRIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-10-6-7-14(8-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate?
tert-butyl 3-amino-4-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 3-amino-4-ethoxypiperidine-1-carboxylate is sourced from PubChem (CID 75355534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).