2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine

C19H23FN2 — CID 29152007

IUPAC2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CN2CCC(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN2/c1-15-5-4-7-18(21-15)14-22-11-9-16(10-12-22)13-17-6-2-3-8-19(17)20/h2-8,16H,9-14H2,1H3
InChIKeyWTCRGAIINPRRQX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.98
Rot. Bonds4

About 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine

2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine (PubChem CID 29152007) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine
PubChem CID29152007
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CN2CCC(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN2/c1-15-5-4-7-18(21-15)14-22-11-9-16(10-12-22)13-17-6-2-3-8-19(17)20/h2-8,16H,9-14H2,1H3
InChIKeyWTCRGAIINPRRQX-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine (CID 29152007) is 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine is Cc1cccc(CN2CCC(Cc3ccccc3F)CC2)n1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine?
The InChIKey is WTCRGAIINPRRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-5-4-7-18(21-15)14-22-11-9-16(10-12-22)13-17-6-2-3-8-19(17)20/h2-8,16H,9-14H2,1H3.
What are the key properties of 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine?
2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine has a molecular weight of 298.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridine is sourced from PubChem (CID 29152007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).