1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine

C17H24FNOS — CID 15147197

IUPAC1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNOS/c18-16-3-5-17(6-4-16)21(20)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyJJEOUSQZJYEUMK-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine

1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine (PubChem CID 15147197) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
PubChem CID15147197
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNOS/c18-16-3-5-17(6-4-16)21(20)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyJJEOUSQZJYEUMK-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-(trifluoromethyl)piperidine
CID 21048822
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanylmethyl)-piperidine
CID 15147193
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-benzenesulfonylmethyl)-piperidine
CID 15147198
1-[2-(2,4-Difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine
CID 75037480
Sulfone, 4-fluorophenyl 2-piperidinoethyl, hydrochloride
CID 214239
1-[2-(Phenylsulfonyl)ethyl]piperidine
CID 786875
1-[2-(Benzenesulfonyl)ethyl]-4-(trifluoromethyl)piperidine
CID 2822170
1-[2-(2,4-Difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine
CID 44511384
1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine
CID 138979089
3,5-Dimethyl-1-(3-phenylsulfanylpropyl)piperidine
CID 11836238
3-[(4-Fluorophenyl)sulfonyl]-4-(4-methylpiperidino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897864

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The IUPAC name of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine (CID 15147197) is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine is O=S(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The InChIKey is JJEOUSQZJYEUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c18-16-3-5-17(6-4-16)21(20)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2.
What are the key properties of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine is sourced from PubChem (CID 15147197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).