(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone

C15H20FNOS — CID 107033947

IUPAC(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H20FNOS/c1-2-5-11-6-3-4-9-17(11)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyNZCDQOXFYKPWLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds3

About (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone

(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 107033947) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID107033947
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H20FNOS/c1-2-5-11-6-3-4-9-17(11)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyNZCDQOXFYKPWLL-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
CID 107026087
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
(5-chloro-2-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053352
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone (CID 107033947) is (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(S)ccc1F.
What is the InChIKey of (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is NZCDQOXFYKPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-2-5-11-6-3-4-9-17(11)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,2-6,9H2,1H3.
What are the key properties of (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone?
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 107033947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).