4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine

C17H24FNO4S2 — CID 174520336

IUPAC4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
SMILESC=CC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)CCC1(F)CCNCC1
InChIInChI=1S/C17H24FNO4S2/c1-3-16(14-4-6-15(7-5-14)24(2,20)21)25(22,23)13-10-17(18)8-11-19-12-9-17/h3-7,16,19H,1,8-13H2,2H3
InChIKeyFVIHZOFQHNJRCE-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.21
Rot. Bonds7

About 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine

4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine (PubChem CID 174520336) has the molecular formula C17H24FNO4S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
PubChem CID174520336
Molecular FormulaC17H24FNO4S2
Molecular Weight389.51 g/mol
Exact Mass389.11
IUPAC Name4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
SMILESC=CC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)CCC1(F)CCNCC1
InChIInChI=1S/C17H24FNO4S2/c1-3-16(14-4-6-15(7-5-14)24(2,20)21)25(22,23)13-10-17(18)8-11-19-12-9-17/h3-7,16,19H,1,8-13H2,2H3
InChIKeyFVIHZOFQHNJRCE-UHFFFAOYSA-N
XLogP2.21
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171285322
4-[1-(4-methylphenyl)prop-2-enylsulfonyl]piperidine-4-carboxylic acid
CID 174734464
4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 118515366
4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 119695871
4-fluoro-4-(3-methylsulfonylpropyl)azepane
CID 103983944
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
4-[2-[1-[4-(2-methyltetrazol-5-yl)phenyl]prop-2-enylsulfonyl]ethyl]piperidine
CID 174476850
(4-fluoropiperidin-4-yl)methyl 4-methylbenzenesulfonate
CID 135152125
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine (CID 174520336) is 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine is C=CC(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)CCC1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The InChIKey is FVIHZOFQHNJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S2/c1-3-16(14-4-6-15(7-5-14)24(2,20)21)25(22,23)13-10-17(18)8-11-19-12-9-17/h3-7,16,19H,1,8-13H2,2H3.
What are the key properties of 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine has a molecular weight of 389.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-[1-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine is sourced from PubChem (CID 174520336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).