1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one

C22H27FN2O — CID 110091965

IUPAC1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C22H27FN2O/c1-15(2)12-22(26)25-10-8-18(9-11-25)21-14-19(13-16(3)24-21)17-4-6-20(23)7-5-17/h4-7,13-15,18H,8-12H2,1-3H3
InChIKeySNOGGNVWQUBXKP-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.95
Rot. Bonds4

About 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one

1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 110091965) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID110091965
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C22H27FN2O/c1-15(2)12-22(26)25-10-8-18(9-11-25)21-14-19(13-16(3)24-21)17-4-6-20(23)7-5-17/h4-7,13-15,18H,8-12H2,1-3H3
InChIKeySNOGGNVWQUBXKP-UHFFFAOYSA-N
XLogP4.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one (CID 110091965) is 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one is Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CC(C)C)CC2)n1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is SNOGGNVWQUBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-15(2)12-22(26)25-10-8-18(9-11-25)21-14-19(13-16(3)24-21)17-4-6-20(23)7-5-17/h4-7,13-15,18H,8-12H2,1-3H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one?
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 354.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110091965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).