4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine

C20H31N3OS — CID 135323092

IUPAC4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C20H31N3OS/c1-3-23-16-18(14-21-23)15-22-11-9-20(10-12-22,17-24-4-2)8-7-19-6-5-13-25-19/h5-6,13-14,16H,3-4,7-12,15,17H2,1-2H3
InChIKeySEWRXKZPTSKXOJ-UHFFFAOYSA-N
MW361.56 g/mol
LogP4.22
Rot. Bonds9

About 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine

4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine (PubChem CID 135323092) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
PubChem CID135323092
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C20H31N3OS/c1-3-23-16-18(14-21-23)15-22-11-9-20(10-12-22,17-24-4-2)8-7-19-6-5-13-25-19/h5-6,13-14,16H,3-4,7-12,15,17H2,1-2H3
InChIKeySEWRXKZPTSKXOJ-UHFFFAOYSA-N
XLogP4.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114
4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
4-(ethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-methylthiophen-2-yl)ethyl]piperidine
CID 135323163
4-[[(3R)-3-(ethoxymethyl)-3-[2-(5-methylthiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135323006
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 135322728
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine (CID 135323092) is 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine is CCOCC1(CCc2cccs2)CCN(Cc2cnn(CC)c2)CC1.
What is the InChIKey of 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is SEWRXKZPTSKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-3-23-16-18(14-21-23)15-22-11-9-20(10-12-22,17-24-4-2)8-7-19-6-5-13-25-19/h5-6,13-14,16H,3-4,7-12,15,17H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine?
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 361.56 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 135323092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).