tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate

C11H20F2N2O2 — CID 97289962

IUPACtert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-8(6-14)11(12,13)7-15/h8H,4-7,14H2,1-3H3/t8-/m1/s1
InChIKeyWYFLAUNQWVXXHB-MRVPVSSYSA-N
MW250.29 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate

tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate (PubChem CID 97289962) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
PubChem CID97289962
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-8(6-14)11(12,13)7-15/h8H,4-7,14H2,1-3H3/t8-/m1/s1
InChIKeyWYFLAUNQWVXXHB-MRVPVSSYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 86695049
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylimino-iminoazanium
CID 139295928
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
1-O-tert-butyl 4-O-(chloromethyl) 3,3-difluoropiperidine-1,4-dicarboxylate
CID 165438866
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
tert-butyl (4S)-3,3-difluoro-4-formylpiperidine-1-carboxylate
CID 124703542
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (4S)-3,3-difluoro-4-(2-pyrazin-2-ylethyl)piperidine-1-carboxylate
CID 147214057

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate (CID 97289962) is tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1.
What is the InChIKey of tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate?
The InChIKey is WYFLAUNQWVXXHB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-8(6-14)11(12,13)7-15/h8H,4-7,14H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate?
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate has a molecular weight of 250.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 97289962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).