tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid

C14H21FN4O2 — CID 68847080

IUPACtert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2cnc(F)nc2)CC1
InChIInChI=1S/C14H21FN4O2/c1-14(2,3)19(13(20)21)10-4-6-18(7-5-10)11-8-16-12(15)17-9-11/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyHDANUJNKGGWJTE-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid (PubChem CID 68847080) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid
PubChem CID68847080
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Nametert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2cnc(F)nc2)CC1
InChIInChI=1S/C14H21FN4O2/c1-14(2,3)19(13(20)21)10-4-6-18(7-5-10)11-8-16-12(15)17-9-11/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyHDANUJNKGGWJTE-UHFFFAOYSA-N
XLogP2.36
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid (CID 68847080) is tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(c2cnc(F)nc2)CC1.
What is the InChIKey of tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid?
The InChIKey is HDANUJNKGGWJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-14(2,3)19(13(20)21)10-4-6-18(7-5-10)11-8-16-12(15)17-9-11/h8-10H,4-7H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid has a molecular weight of 296.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-fluoropyrimidin-5-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68847080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).