6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline

C14H15F2N3 — CID 172882648

IUPAC6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
SMILESFCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H15F2N3/c15-8-10-3-5-19(6-4-10)14-12-7-11(16)1-2-13(12)17-9-18-14/h1-2,7,9-10H,3-6,8H2
InChIKeyMOZZVAZXUPQIOQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.95
Rot. Bonds2

About 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline (PubChem CID 172882648) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
PubChem CID172882648
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
SMILESFCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H15F2N3/c15-8-10-3-5-19(6-4-10)14-12-7-11(16)1-2-13(12)17-9-18-14/h1-2,7,9-10H,3-6,8H2
InChIKeyMOZZVAZXUPQIOQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline (CID 172882648) is 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline is FCC1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline?
The InChIKey is MOZZVAZXUPQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-8-10-3-5-19(6-4-10)14-12-7-11(16)1-2-13(12)17-9-18-14/h1-2,7,9-10H,3-6,8H2.
What are the key properties of 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline?
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline has a molecular weight of 263.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 172882648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).