4-piperidin-4-ylthiomorpholine;dihydrochloride

C9H20Cl2N2S — CID 47000644

IUPAC4-piperidin-4-ylthiomorpholine;dihydrochloride
SMILESC1CC(N2CCSCC2)CCN1.Cl.Cl
InChIInChI=1S/C9H18N2S.2ClH/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyYMSBZGPCGQNCMK-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.63
Rot. Bonds1

About 4-piperidin-4-ylthiomorpholine;dihydrochloride

4-piperidin-4-ylthiomorpholine;dihydrochloride (PubChem CID 47000644) has the molecular formula C9H20Cl2N2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-piperidin-4-ylthiomorpholine;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylthiomorpholine;dihydrochloride
PubChem CID47000644
Molecular FormulaC9H20Cl2N2S
Molecular Weight259.25 g/mol
Exact Mass258.07
IUPAC Name4-piperidin-4-ylthiomorpholine;dihydrochloride
SMILESC1CC(N2CCSCC2)CCN1.Cl.Cl
InChIInChI=1S/C9H18N2S.2ClH/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyYMSBZGPCGQNCMK-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylthiomorpholine;dihydrochloride?
The IUPAC name of 4-piperidin-4-ylthiomorpholine;dihydrochloride (CID 47000644) is 4-piperidin-4-ylthiomorpholine;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-ylthiomorpholine;dihydrochloride?
The canonical SMILES for 4-piperidin-4-ylthiomorpholine;dihydrochloride is C1CC(N2CCSCC2)CCN1.Cl.Cl.
What is the InChIKey of 4-piperidin-4-ylthiomorpholine;dihydrochloride?
The InChIKey is YMSBZGPCGQNCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S.2ClH/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h9-10H,1-8H2;2*1H.
What are the key properties of 4-piperidin-4-ylthiomorpholine;dihydrochloride?
4-piperidin-4-ylthiomorpholine;dihydrochloride has a molecular weight of 259.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylthiomorpholine;dihydrochloride is sourced from PubChem (CID 47000644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).