[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H21FN2OS — CID 11988911

IUPAC[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(CSc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H21FN2OS/c1-14-9-11-22(12-10-14)19(23)18-4-2-3-16(21-18)13-24-17-7-5-15(20)6-8-17/h2-8,14H,9-13H2,1H3
InChIKeyWRZCRCRZXZBQGE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.39
Rot. Bonds4

About [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 11988911) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID11988911
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(CSc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H21FN2OS/c1-14-9-11-22(12-10-14)19(23)18-4-2-3-16(21-18)13-24-17-7-5-15(20)6-8-17/h2-8,14H,9-13H2,1H3
InChIKeyWRZCRCRZXZBQGE-UHFFFAOYSA-N
XLogP4.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 11988911) is [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(CSc3ccc(F)cc3)n2)CC1.
What is the InChIKey of [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WRZCRCRZXZBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-14-9-11-22(12-10-14)19(23)18-4-2-3-16(21-18)13-24-17-7-5-15(20)6-8-17/h2-8,14H,9-13H2,1H3.
What are the key properties of [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 11988911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).