[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine

C18H21FN2O2S — CID 67504617

IUPAC[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O2S/c19-16-6-8-17(9-7-16)24(22,23)21-12-10-18(14-20,11-13-21)15-4-2-1-3-5-15/h1-9H,10-14,20H2
InChIKeyGDEBRTXXXOTFPZ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.51
Rot. Bonds4

About [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine

[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine (PubChem CID 67504617) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine
PubChem CID67504617
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O2S/c19-16-6-8-17(9-7-16)24(22,23)21-12-10-18(14-20,11-13-21)15-4-2-1-3-5-15/h1-9H,10-14,20H2
InChIKeyGDEBRTXXXOTFPZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-benzyl-9-(4-fluorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495869
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4739020
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
(5R)-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 31392589
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanethioamide
CID 63336604
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine (CID 67504617) is [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine is NCC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine?
The InChIKey is GDEBRTXXXOTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-16-6-8-17(9-7-16)24(22,23)21-12-10-18(14-20,11-13-21)15-4-2-1-3-5-15/h1-9H,10-14,20H2.
What are the key properties of [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine?
[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine has a molecular weight of 348.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine is sourced from PubChem (CID 67504617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).