tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate

C14H26F2N2O2 — CID 129204673

IUPACtert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
SMILESCC(C)(C)OC(=O)CC(N)CCN1CCCCC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)10-11(17)6-9-18-8-5-4-7-14(18,15)16/h11H,4-10,17H2,1-3H3
InChIKeyQEUWSBPHZLHENZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.51
Rot. Bonds5

About tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate

tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate (PubChem CID 129204673) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
PubChem CID129204673
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
SMILESCC(C)(C)OC(=O)CC(N)CCN1CCCCC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)10-11(17)6-9-18-8-5-4-7-14(18,15)16/h11H,4-10,17H2,1-3H3
InChIKeyQEUWSBPHZLHENZ-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129204520
tert-butyl (3S)-3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129204521
tert-butyl (3S)-3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
CID 129204674
Tert-butyl 3-amino-5-(2,3-difluoropiperidin-1-yl)pentanoate
CID 129204676
Tert-butyl 3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129204957
tert-butyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129204958
3-Amino-5-(4,4-difluoropiperidin-1-yl)pentanoic acid
CID 129219769
3-Amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
CID 129219829
3-Amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid
CID 129219919
2-methylpropyl (3S)-3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129226492
2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129226596
tert-butyl (3S)-3-amino-5-(5,5-difluoro-2,3,4,6-tetrahydropyridin-3-ylium-1-yl)pentanoate
CID 140791090

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate?
The IUPAC name of tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate (CID 129204673) is tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate.
What is the SMILES notation for tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate?
The canonical SMILES for tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate is CC(C)(C)OC(=O)CC(N)CCN1CCCCC1(F)F.
What is the InChIKey of tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate?
The InChIKey is QEUWSBPHZLHENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)10-11(17)6-9-18-8-5-4-7-14(18,15)16/h11H,4-10,17H2,1-3H3.
What are the key properties of tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate?
tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate has a molecular weight of 292.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate is sourced from PubChem (CID 129204673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).