[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone

C21H24FNO — CID 173119823

IUPAC[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone
SMILESCc1c(F)cccc1[C@@H]1C[C@@H](C)N[C@H](C)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H24FNO/c1-13-12-18(17-10-7-11-19(22)14(17)2)20(15(3)23-13)21(24)16-8-5-4-6-9-16/h4-11,13,15,18,20,23H,12H2,1-3H3/t13-,15-,18+,20-/m1/s1
InChIKeyNOHOYNAOQGGJDA-CKICMJPISA-N
MW325.43 g/mol
LogP4.49
Rot. Bonds3

About [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone

[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone (PubChem CID 173119823) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone
PubChem CID173119823
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone
SMILESCc1c(F)cccc1[C@@H]1C[C@@H](C)N[C@H](C)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H24FNO/c1-13-12-18(17-10-7-11-19(22)14(17)2)20(15(3)23-13)21(24)16-8-5-4-6-9-16/h4-11,13,15,18,20,23H,12H2,1-3H3/t13-,15-,18+,20-/m1/s1
InChIKeyNOHOYNAOQGGJDA-CKICMJPISA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone (CID 173119823) is [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone is Cc1c(F)cccc1[C@@H]1C[C@@H](C)N[C@H](C)[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone?
The InChIKey is NOHOYNAOQGGJDA-CKICMJPISA-N. The full InChI is InChI=1S/C21H24FNO/c1-13-12-18(17-10-7-11-19(22)14(17)2)20(15(3)23-13)21(24)16-8-5-4-6-9-16/h4-11,13,15,18,20,23H,12H2,1-3H3/t13-,15-,18+,20-/m1/s1.
What are the key properties of [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone?
[(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone has a molecular weight of 325.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6R)-4-(3-fluoro-2-methylphenyl)-2,6-dimethylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 173119823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).