3-fluoro-1,5-dimethylpiperidine-4-thiol

C7H14FNS — CID 156519467

IUPAC3-fluoro-1,5-dimethylpiperidine-4-thiol
SMILESCC1CN(C)CC(F)C1S
InChIInChI=1S/C7H14FNS/c1-5-3-9(2)4-6(8)7(5)10/h5-7,10H,3-4H2,1-2H3
InChIKeyKBAXKRHFQRWJGW-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.20
Rot. Bonds

About 3-fluoro-1,5-dimethylpiperidine-4-thiol

3-fluoro-1,5-dimethylpiperidine-4-thiol (PubChem CID 156519467) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethylpiperidine-4-thiol.

Molecular Properties

Compound Name3-fluoro-1,5-dimethylpiperidine-4-thiol
PubChem CID156519467
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-1,5-dimethylpiperidine-4-thiol
SMILESCC1CN(C)CC(F)C1S
InChIInChI=1S/C7H14FNS/c1-5-3-9(2)4-6(8)7(5)10/h5-7,10H,3-4H2,1-2H3
InChIKeyKBAXKRHFQRWJGW-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethylpiperidine-4-thiol?
The IUPAC name of 3-fluoro-1,5-dimethylpiperidine-4-thiol (CID 156519467) is 3-fluoro-1,5-dimethylpiperidine-4-thiol.
What is the SMILES notation for 3-fluoro-1,5-dimethylpiperidine-4-thiol?
The canonical SMILES for 3-fluoro-1,5-dimethylpiperidine-4-thiol is CC1CN(C)CC(F)C1S.
What is the InChIKey of 3-fluoro-1,5-dimethylpiperidine-4-thiol?
The InChIKey is KBAXKRHFQRWJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-5-3-9(2)4-6(8)7(5)10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1,5-dimethylpiperidine-4-thiol?
3-fluoro-1,5-dimethylpiperidine-4-thiol has a molecular weight of 163.26 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethylpiperidine-4-thiol is sourced from PubChem (CID 156519467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).