4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine

C12H24N2S — CID 114430708

IUPAC4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
SMILESCCC1CCNC(CN2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-2-11-3-4-13-12(9-11)10-14-5-7-15-8-6-14/h11-13H,2-10H2,1H3
InChIKeyNXKKCRVDWBOJHG-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds3

About 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine

4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine (PubChem CID 114430708) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
PubChem CID114430708
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
SMILESCCC1CCNC(CN2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-2-11-3-4-13-12(9-11)10-14-5-7-15-8-6-14/h11-13H,2-10H2,1H3
InChIKeyNXKKCRVDWBOJHG-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 114431092
2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine
CID 114431378
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-(azetidin-2-ylmethyl)-1,4-thiazepane
CID 131023163
1-[(4-ethylpiperidin-2-yl)methyl]-2,5-dimethylpiperidine
CID 114431246
1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114430782
1-ethyl-N-[(4-ethylpiperidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 114430948
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 114431138
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine (CID 114430708) is 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine is CCC1CCNC(CN2CCSCC2)C1.
What is the InChIKey of 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine?
The InChIKey is NXKKCRVDWBOJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-11-3-4-13-12(9-11)10-14-5-7-15-8-6-14/h11-13H,2-10H2,1H3.
What are the key properties of 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine?
4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 114430708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).