4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine

C9H18FNS — CID 167008502

IUPAC4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
SMILESCSC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C9H18FNS/c1-8(2)11-6-4-9(10,12-3)5-7-11/h8H,4-7H2,1-3H3
InChIKeyNATXVDMGNWLSPS-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.52
Rot. Bonds2

About 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine

4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine (PubChem CID 167008502) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
PubChem CID167008502
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
SMILESCSC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C9H18FNS/c1-8(2)11-6-4-9(10,12-3)5-7-11/h8H,4-7H2,1-3H3
InChIKeyNATXVDMGNWLSPS-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine (CID 167008502) is 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine is CSC1(F)CCN(C(C)C)CC1.
What is the InChIKey of 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The InChIKey is NATXVDMGNWLSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8(2)11-6-4-9(10,12-3)5-7-11/h8H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine has a molecular weight of 191.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 167008502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).