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

C13H24N2O2 — CID 155905077

IUPACtert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-6-11(14)10(8-15)9-4-5-9/h9-11H,4-8,14H2,1-3H3/t10-,11-/m0/s1
InChIKeyDGNULDRPLLAXCR-QWRGUYRKSA-N
MW240.35 g/mol
LogP1.98
Rot. Bonds1

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

tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate (PubChem CID 155905077) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
PubChem CID155905077
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-6-11(14)10(8-15)9-4-5-9/h9-11H,4-8,14H2,1-3H3/t10-,11-/m0/s1
InChIKeyDGNULDRPLLAXCR-QWRGUYRKSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
CID 84812486
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate
CID 167461657
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (1S,5R,6S)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 97110869
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate (CID 155905077) is tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)[C@H](C2CC2)C1.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate?
The InChIKey is DGNULDRPLLAXCR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-6-11(14)10(8-15)9-4-5-9/h9-11H,4-8,14H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate?
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate is sourced from PubChem (CID 155905077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).