4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine

C15H29FN2S — CID 170615892

IUPAC4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine
SMILESCSC1(F)CCN(CCC(C)C2CCNCC2)CC1
InChIInChI=1S/C15H29FN2S/c1-13(14-3-8-17-9-4-14)5-10-18-11-6-15(16,19-2)7-12-18/h13-14,17H,3-12H2,1-2H3
InChIKeyRDJZGPRCCWPZGX-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.14
Rot. Bonds5

About 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine

4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine (PubChem CID 170615892) has the molecular formula C15H29FN2S and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine
PubChem CID170615892
Molecular FormulaC15H29FN2S
Molecular Weight288.48 g/mol
Exact Mass288.20
IUPAC Name4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine
SMILESCSC1(F)CCN(CCC(C)C2CCNCC2)CC1
InChIInChI=1S/C15H29FN2S/c1-13(14-3-8-17-9-4-14)5-10-18-11-6-15(16,19-2)7-12-18/h13-14,17H,3-12H2,1-2H3
InChIKeyRDJZGPRCCWPZGX-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine?
The IUPAC name of 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine (CID 170615892) is 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine.
What is the SMILES notation for 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine?
The canonical SMILES for 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine is CSC1(F)CCN(CCC(C)C2CCNCC2)CC1.
What is the InChIKey of 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine?
The InChIKey is RDJZGPRCCWPZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2S/c1-13(14-3-8-17-9-4-14)5-10-18-11-6-15(16,19-2)7-12-18/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine?
4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine has a molecular weight of 288.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine is sourced from PubChem (CID 170615892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).