4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride

C7H15ClFNS — CID 157040671

IUPAC4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1(F)CCNCC1.Cl
InChIInChI=1S/C7H14FNS.ClH/c1-10-6-7(8)2-4-9-5-3-7;/h9H,2-6H2,1H3;1H
InChIKeyCQRDMSLKXPFHEZ-UHFFFAOYSA-N
MW199.72 g/mol
LogP1.86
Rot. Bonds2

About 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride

4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 157040671) has the molecular formula C7H15ClFNS and a molecular weight of 199.72 g/mol. Its IUPAC name is 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
PubChem CID157040671
Molecular FormulaC7H15ClFNS
Molecular Weight199.72 g/mol
Exact Mass199.06
IUPAC Name4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1(F)CCNCC1.Cl
InChIInChI=1S/C7H14FNS.ClH/c1-10-6-7(8)2-4-9-5-3-7;/h9H,2-6H2,1H3;1H
InChIKeyCQRDMSLKXPFHEZ-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride (CID 157040671) is 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride is CSCC1(F)CCNCC1.Cl.
What is the InChIKey of 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is CQRDMSLKXPFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS.ClH/c1-10-6-7(8)2-4-9-5-3-7;/h9H,2-6H2,1H3;1H.
What are the key properties of 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride?
4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 157040671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).