1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one

C22H27FN2O2 — CID 45201081

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCc1ccc(CN(C)CC2(O)CCCN(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C22H27FN2O2/c1-17-8-10-18(11-9-17)14-24(2)16-22(27)12-5-13-25(21(22)26)15-19-6-3-4-7-20(19)23/h3-4,6-11,27H,5,12-16H2,1-2H3
InChIKeyRDYPGVGDAIGNMP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.12
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45201081) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one
PubChem CID45201081
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCc1ccc(CN(C)CC2(O)CCCN(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C22H27FN2O2/c1-17-8-10-18(11-9-17)14-24(2)16-22(27)12-5-13-25(21(22)26)15-19-6-3-4-7-20(19)23/h3-4,6-11,27H,5,12-16H2,1-2H3
InChIKeyRDYPGVGDAIGNMP-UHFFFAOYSA-N
XLogP3.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one (CID 45201081) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one is Cc1ccc(CN(C)CC2(O)CCCN(Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is RDYPGVGDAIGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-17-8-10-18(11-9-17)14-24(2)16-22(27)12-5-13-25(21(22)26)15-19-6-3-4-7-20(19)23/h3-4,6-11,27H,5,12-16H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45201081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).