(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

C18H19F2N3O — CID 70762004

IUPAC(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ncc(F)cc2F)C(C)C1
InChIInChI=1S/C18H19F2N3O/c1-12-5-3-4-6-16(12)22-7-8-23(13(2)11-22)18(24)17-15(20)9-14(19)10-21-17/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyIQUNAMYSSXHQSO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.02
Rot. Bonds2

About (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 70762004) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID70762004
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ncc(F)cc2F)C(C)C1
InChIInChI=1S/C18H19F2N3O/c1-12-5-3-4-6-16(12)22-7-8-23(13(2)11-22)18(24)17-15(20)9-14(19)10-21-17/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyIQUNAMYSSXHQSO-UHFFFAOYSA-N
XLogP3.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (CID 70762004) is (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2ncc(F)cc2F)C(C)C1.
What is the InChIKey of (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is IQUNAMYSSXHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-5-3-4-6-16(12)22-7-8-23(13(2)11-22)18(24)17-15(20)9-14(19)10-21-17/h3-6,9-10,13H,7-8,11H2,1-2H3.
What are the key properties of (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
(3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 331.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-pyridinyl)-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).