1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone

C9H16FNO — CID 126758420

IUPAC1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](CF)C[C@H]1C
InChIInChI=1S/C9H16FNO/c1-7-5-9(6-10)3-4-11(7)8(2)12/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyNPVLKVANCFJIKT-VXNVDRBHSA-N
MW173.23 g/mol
LogP1.60
Rot. Bonds1

About 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone

1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone (PubChem CID 126758420) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone
PubChem CID126758420
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](CF)C[C@H]1C
InChIInChI=1S/C9H16FNO/c1-7-5-9(6-10)3-4-11(7)8(2)12/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyNPVLKVANCFJIKT-VXNVDRBHSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone (CID 126758420) is 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone is CC(=O)N1CC[C@@H](CF)C[C@H]1C.
What is the InChIKey of 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is NPVLKVANCFJIKT-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-5-9(6-10)3-4-11(7)8(2)12/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone?
1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 173.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 126758420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).