4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline

C14H21FN2S — CID 79148324

IUPAC4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
SMILESCN1CCCCC1CCSc1cc(F)ccc1N
InChIInChI=1S/C14H21FN2S/c1-17-8-3-2-4-12(17)7-9-18-14-10-11(15)5-6-13(14)16/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyWSMUUFZAWVBKEI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.37
Rot. Bonds4

About 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline

4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline (PubChem CID 79148324) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
PubChem CID79148324
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
SMILESCN1CCCCC1CCSc1cc(F)ccc1N
InChIInChI=1S/C14H21FN2S/c1-17-8-3-2-4-12(17)7-9-18-14-10-11(15)5-6-13(14)16/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyWSMUUFZAWVBKEI-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
4-fluoro-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79143656
6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
CID 154782778
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560104
1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
4-fluoro-2-nonylsulfanylaniline
CID 79147730
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97206499
N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
CID 107914261

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The IUPAC name of 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline (CID 79148324) is 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline.
What is the SMILES notation for 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The canonical SMILES for 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline is CN1CCCCC1CCSc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The InChIKey is WSMUUFZAWVBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-17-8-3-2-4-12(17)7-9-18-14-10-11(15)5-6-13(14)16/h5-6,10,12H,2-4,7-9,16H2,1H3.
What are the key properties of 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline is sourced from PubChem (CID 79148324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).