tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate

C14H24F4N2O2 — CID 103529632

IUPACtert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)20-6-4-5-10(8-20)7-19-9-14(17,18)11(15)16/h10-11,19H,4-9H2,1-3H3
InChIKeyKNYJOKPFSNTNLQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate (PubChem CID 103529632) has the molecular formula C14H24F4N2O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
PubChem CID103529632
Molecular FormulaC14H24F4N2O2
Molecular Weight328.35 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)20-6-4-5-10(8-20)7-19-9-14(17,18)11(15)16/h10-11,19H,4-9H2,1-3H3
InChIKeyKNYJOKPFSNTNLQ-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate
CID 104857530
tert-butyl 3-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625113
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]piperidine-1-carboxylate
CID 103702169
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl 3-[(pyrrolidin-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246528
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate (CID 103529632) is tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)C(F)F)C1.
What is the InChIKey of tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate?
The InChIKey is KNYJOKPFSNTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)20-6-4-5-10(8-20)7-19-9-14(17,18)11(15)16/h10-11,19H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103529632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).