tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate

C13H25FN2O2 — CID 67323267

IUPACtert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate
SMILESCC(F)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25FN2O2/c1-10(14)9-16-7-5-11(6-8-16)15-12(17)18-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyXQIZNYXJCBHAQK-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate (PubChem CID 67323267) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate
PubChem CID67323267
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Nametert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate
SMILESCC(F)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25FN2O2/c1-10(14)9-16-7-5-11(6-8-16)15-12(17)18-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyXQIZNYXJCBHAQK-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate (CID 67323267) is tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate is CC(F)CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate?
The InChIKey is XQIZNYXJCBHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-10(14)9-16-7-5-11(6-8-16)15-12(17)18-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate has a molecular weight of 260.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluoropropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 67323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).