tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate

C13H26N2O2 — CID 76844460

IUPACtert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C13H26N2O2/c1-9(2)10-6-7-15(8-11(10)14)12(16)17-13(3,4)5/h9-11H,6-8,14H2,1-5H3/t10-,11+/m1/s1
InChIKeyDVOWJVATCSFJRY-MNOVXSKESA-N
MW242.36 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate

tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 76844460) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
PubChem CID76844460
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C13H26N2O2/c1-9(2)10-6-7-15(8-11(10)14)12(16)17-13(3,4)5/h9-11H,6-8,14H2,1-5H3/t10-,11+/m1/s1
InChIKeyDVOWJVATCSFJRY-MNOVXSKESA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
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 (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
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
tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
CID 84812486

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate (CID 76844460) is tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate is CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is DVOWJVATCSFJRY-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)10-6-7-15(8-11(10)14)12(16)17-13(3,4)5/h9-11H,6-8,14H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.23, 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)-3-amino-4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 76844460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).