3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine

C13H26N2OS — CID 66422527

IUPAC3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
SMILESCCOC1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C13H26N2OS/c1-2-16-13-4-8-15(9-5-13)7-3-12-11-17-10-6-14-12/h12-14H,2-11H2,1H3
InChIKeyBYURRUBPQKLHNU-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.58
Rot. Bonds5

About 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine

3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine (PubChem CID 66422527) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
PubChem CID66422527
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
SMILESCCOC1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C13H26N2OS/c1-2-16-13-4-8-15(9-5-13)7-3-12-11-17-10-6-14-12/h12-14H,2-11H2,1H3
InChIKeyBYURRUBPQKLHNU-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
3-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420355
3-[2-(4-benzylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422118
4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 66419967
3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116
2-ethyl-4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 114218488
3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422321
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66420348
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
CID 82916049
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66420536

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine (CID 66422527) is 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine is CCOC1CCN(CCC2CSCCN2)CC1.
What is the InChIKey of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine?
The InChIKey is BYURRUBPQKLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-2-16-13-4-8-15(9-5-13)7-3-12-11-17-10-6-14-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine?
3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine has a molecular weight of 258.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66422527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).