1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one

C10H18FNO — CID 126991952

IUPAC1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)C(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6H2,1-3H3
InChIKeyRNJLXUGXXBFNKC-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds1

About 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one

1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 126991952) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID126991952
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)C(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6H2,1-3H3
InChIKeyRNJLXUGXXBFNKC-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 126991952) is 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is RNJLXUGXXBFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 187.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 126991952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).