4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine

C13H18FNS — CID 142816289

IUPAC4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
SMILESFC1=C(CSC2CCNCC2)C=CC=CC1
InChIInChI=1S/C13H18FNS/c14-13-5-3-1-2-4-11(13)10-16-12-6-8-15-9-7-12/h1-4,12,15H,5-10H2
InChIKeyFXTFULFTGQXCAP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.21
Rot. Bonds3

About 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine

4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine (PubChem CID 142816289) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
PubChem CID142816289
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
SMILESFC1=C(CSC2CCNCC2)C=CC=CC1
InChIInChI=1S/C13H18FNS/c14-13-5-3-1-2-4-11(13)10-16-12-6-8-15-9-7-12/h1-4,12,15H,5-10H2
InChIKeyFXTFULFTGQXCAP-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2Z)-2-(1-chloroethenyl)penta-2,4-dienyl]sulfanylpiperidine
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4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
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4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236
ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
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2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine?
The IUPAC name of 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine (CID 142816289) is 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine.
What is the SMILES notation for 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine?
The canonical SMILES for 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine is FC1=C(CSC2CCNCC2)C=CC=CC1.
What is the InChIKey of 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine?
The InChIKey is FXTFULFTGQXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c14-13-5-3-1-2-4-11(13)10-16-12-6-8-15-9-7-12/h1-4,12,15H,5-10H2.
What are the key properties of 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine?
4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine has a molecular weight of 239.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine is sourced from PubChem (CID 142816289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).