3-piperidin-4-ylthiomorpholine

C9H18N2S — CID 54406249

IUPAC3-piperidin-4-ylthiomorpholine
SMILESC1CC(C2CSCCN2)CCN1
InChIInChI=1S/C9H18N2S/c1-3-10-4-2-8(1)9-7-12-6-5-11-9/h8-11H,1-7H2
InChIKeyDUJKMFDOIGIFPZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.69
Rot. Bonds1

About 3-piperidin-4-ylthiomorpholine

3-piperidin-4-ylthiomorpholine (PubChem CID 54406249) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-piperidin-4-ylthiomorpholine.

Molecular Properties

Compound Name3-piperidin-4-ylthiomorpholine
PubChem CID54406249
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-piperidin-4-ylthiomorpholine
SMILESC1CC(C2CSCCN2)CCN1
InChIInChI=1S/C9H18N2S/c1-3-10-4-2-8(1)9-7-12-6-5-11-9/h8-11H,1-7H2
InChIKeyDUJKMFDOIGIFPZ-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-Thia-1,4-diazaspiro[5.5]undecane
CID 82411744
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
1-(2-Piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
CID 114628726
[4-Fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115039146
N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115719866
1-[(4-Fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
3-(Piperidinomethyl)thiomorpholine
CID 18915121
N,N-diethyl-2-(piperidin-4-ylmethylsulfanyl)ethanamine
CID 20295338
4-Piperidin-4-ylsulfanylpiperidine
CID 21516949

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylthiomorpholine?
The IUPAC name of 3-piperidin-4-ylthiomorpholine (CID 54406249) is 3-piperidin-4-ylthiomorpholine.
What is the SMILES notation for 3-piperidin-4-ylthiomorpholine?
The canonical SMILES for 3-piperidin-4-ylthiomorpholine is C1CC(C2CSCCN2)CCN1.
What is the InChIKey of 3-piperidin-4-ylthiomorpholine?
The InChIKey is DUJKMFDOIGIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-10-4-2-8(1)9-7-12-6-5-11-9/h8-11H,1-7H2.
What are the key properties of 3-piperidin-4-ylthiomorpholine?
3-piperidin-4-ylthiomorpholine has a molecular weight of 186.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylthiomorpholine is sourced from PubChem (CID 54406249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).