tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate

C13H25FN2O2 — CID 126738763

IUPACtert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CCCN)C1
InChIInChI=1S/C13H25FN2O2/c1-12(2,3)18-11(17)16-9-5-7-13(14,10-16)6-4-8-15/h4-10,15H2,1-3H3
InChIKeyQLFQVYWOPFONLA-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate

tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 126738763) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
PubChem CID126738763
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Nametert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CCCN)C1
InChIInChI=1S/C13H25FN2O2/c1-12(2,3)18-11(17)16-9-5-7-13(14,10-16)6-4-8-15/h4-10,15H2,1-3H3
InChIKeyQLFQVYWOPFONLA-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
(3S)-3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 150512700
tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 83825953
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl 3-fluoro-3-(4-hydroxybutyl)pyrrolidine-1-carboxylate;tert-butyl 3-fluoro-3-pentylpyrrolidine-1-carboxylate
CID 157060263
[(3S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylimino-iminoazanium
CID 123652062
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate (CID 126738763) is tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(F)(CCCN)C1.
What is the InChIKey of tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is QLFQVYWOPFONLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-12(2,3)18-11(17)16-9-5-7-13(14,10-16)6-4-8-15/h4-10,15H2,1-3H3.
What are the key properties of tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate?
tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 260.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 126738763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).