2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine

C14H28N2S — CID 114628545

IUPAC2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
SMILESCC1CCCN(CCSC2CCNCC2)C1C
InChIInChI=1S/C14H28N2S/c1-12-4-3-9-16(13(12)2)10-11-17-14-5-7-15-8-6-14/h12-15H,3-11H2,1-2H3
InChIKeyYWSNPZASLGNJKW-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds4

About 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine

2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine (PubChem CID 114628545) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
PubChem CID114628545
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
SMILESCC1CCCN(CCSC2CCNCC2)C1C
InChIInChI=1S/C14H28N2S/c1-12-4-3-9-16(13(12)2)10-11-17-14-5-7-15-8-6-14/h12-15H,3-11H2,1-2H3
InChIKeyYWSNPZASLGNJKW-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The IUPAC name of 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine (CID 114628545) is 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine.
What is the SMILES notation for 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The canonical SMILES for 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine is CC1CCCN(CCSC2CCNCC2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The InChIKey is YWSNPZASLGNJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12-4-3-9-16(13(12)2)10-11-17-14-5-7-15-8-6-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine is sourced from PubChem (CID 114628545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).