2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide

C15H21FN2O — CID 106777741

IUPAC2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C)C(C(N)=O)C(Cc2ccc(F)cc2)N1
InChIInChI=1S/C15H21FN2O/c1-9-7-10(2)18-13(14(9)15(17)19)8-11-3-5-12(16)6-4-11/h3-6,9-10,13-14,18H,7-8H2,1-2H3,(H2,17,19)
InChIKeyKQQUEGNSESOYDP-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.86
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide

2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide (PubChem CID 106777741) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
PubChem CID106777741
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C)C(C(N)=O)C(Cc2ccc(F)cc2)N1
InChIInChI=1S/C15H21FN2O/c1-9-7-10(2)18-13(14(9)15(17)19)8-11-3-5-12(16)6-4-11/h3-6,9-10,13-14,18H,7-8H2,1-2H3,(H2,17,19)
InChIKeyKQQUEGNSESOYDP-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide (CID 106777741) is 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide is CC1CC(C)C(C(N)=O)C(Cc2ccc(F)cc2)N1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The InChIKey is KQQUEGNSESOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9-7-10(2)18-13(14(9)15(17)19)8-11-3-5-12(16)6-4-11/h3-6,9-10,13-14,18H,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 106777741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).