2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine

C13H26N2OS — CID 114284469

IUPAC2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine
SMILESCCC1CN(CC2(OC)CCNCC2)CCS1
InChIInChI=1S/C13H26N2OS/c1-3-12-10-15(8-9-17-12)11-13(16-2)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3
InChIKeyULGPVHHOFFHHJU-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.58
Rot. Bonds4

About 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine

2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine (PubChem CID 114284469) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine
PubChem CID114284469
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine
SMILESCCC1CN(CC2(OC)CCNCC2)CCS1
InChIInChI=1S/C13H26N2OS/c1-3-12-10-15(8-9-17-12)11-13(16-2)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3
InChIKeyULGPVHHOFFHHJU-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine
CID 114284458
2-ethyl-4-[(2-methylpiperidin-4-yl)methyl]thiomorpholine
CID 106741211
(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933581
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904
(2S)-2-ethyl-4-methylthiomorpholine
CID 143445778
2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
CID 107069481
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
CID 75504321
4-(methoxymethyl)-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 114042162
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
CID 59049794

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine?
The IUPAC name of 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine (CID 114284469) is 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine.
What is the SMILES notation for 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine?
The canonical SMILES for 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine is CCC1CN(CC2(OC)CCNCC2)CCS1.
What is the InChIKey of 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine?
The InChIKey is ULGPVHHOFFHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-12-10-15(8-9-17-12)11-13(16-2)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine?
2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine has a molecular weight of 258.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 114284469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).