tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid

C14H27FN2O2 — CID 118381279

IUPACtert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid
SMILESCC(C)(F)CN1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H27FN2O2/c1-13(2,3)17(12(18)19)11-6-8-16(9-7-11)10-14(4,5)15/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyKACDKTCDXKCUBQ-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid (PubChem CID 118381279) has the molecular formula C14H27FN2O2 and a molecular weight of 274.38 g/mol. Its IUPAC name is tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid
PubChem CID118381279
Molecular FormulaC14H27FN2O2
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Nametert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid
SMILESCC(C)(F)CN1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H27FN2O2/c1-13(2,3)17(12(18)19)11-6-8-16(9-7-11)10-14(4,5)15/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyKACDKTCDXKCUBQ-UHFFFAOYSA-N
XLogP2.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid (CID 118381279) is tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid is CC(C)(F)CN1CCC(N(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid?
The InChIKey is KACDKTCDXKCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O2/c1-13(2,3)17(12(18)19)11-6-8-16(9-7-11)10-14(4,5)15/h11H,6-10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid has a molecular weight of 274.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 118381279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).