5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine

C14H26FNS — CID 140640625

IUPAC5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
SMILESCC1CCC(CCSC2CCC(F)CC2)CN1
InChIInChI=1S/C14H26FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h11-14,16H,2-10H2,1H3
InChIKeyOLYLYQRHQSFNAX-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.78
Rot. Bonds4

About 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine

5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine (PubChem CID 140640625) has the molecular formula C14H26FNS and a molecular weight of 259.43 g/mol. Its IUPAC name is 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
PubChem CID140640625
Molecular FormulaC14H26FNS
Molecular Weight259.43 g/mol
Exact Mass259.18
IUPAC Name5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
SMILESCC1CCC(CCSC2CCC(F)CC2)CN1
InChIInChI=1S/C14H26FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h11-14,16H,2-10H2,1H3
InChIKeyOLYLYQRHQSFNAX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine?
The IUPAC name of 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine (CID 140640625) is 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine.
What is the SMILES notation for 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine?
The canonical SMILES for 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine is CC1CCC(CCSC2CCC(F)CC2)CN1.
What is the InChIKey of 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine?
The InChIKey is OLYLYQRHQSFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNS/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14/h11-14,16H,2-10H2,1H3.
What are the key properties of 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine?
5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine has a molecular weight of 259.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine is sourced from PubChem (CID 140640625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).