2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

C15H23FN2S — CID 106635479

IUPAC2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCSc1ccc(F)cc1)CC1CCCCN1
InChIInChI=1S/C15H23FN2S/c1-18(12-14-4-2-3-9-17-14)10-11-19-15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyWGTGZEDBGBWFHK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106635479) has the molecular formula C15H23FN2S and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106635479
Molecular FormulaC15H23FN2S
Molecular Weight282.43 g/mol
Exact Mass282.16
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCSc1ccc(F)cc1)CC1CCCCN1
InChIInChI=1S/C15H23FN2S/c1-18(12-14-4-2-3-9-17-14)10-11-19-15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyWGTGZEDBGBWFHK-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 106622875
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (CID 106635479) is 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is CN(CCSc1ccc(F)cc1)CC1CCCCN1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is WGTGZEDBGBWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2S/c1-18(12-14-4-2-3-9-17-14)10-11-19-15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 282.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106635479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).