4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine

C15H21N3OS2 — CID 11186376

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
SMILESCSc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C15H21N3OS2/c1-20-15-3-2-14(21-15)9-18-6-4-13(5-7-18)19-10-12-8-16-11-17-12/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,16,17)
InChIKeySOYBWXLQJMCRAQ-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.37
Rot. Bonds6

About 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine

4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine (PubChem CID 11186376) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
PubChem CID11186376
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
SMILESCSc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C15H21N3OS2/c1-20-15-3-2-14(21-15)9-18-6-4-13(5-7-18)19-10-12-8-16-11-17-12/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,16,17)
InChIKeySOYBWXLQJMCRAQ-UHFFFAOYSA-N
XLogP3.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 71931744
N-(1H-imidazol-2-ylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
CID 72138701
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
2-Methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine
CID 141041223
2-[[(2-methyl-1H-imidazol-4-yl)methyl](2-thienylmethyl)amino]ethanol
CID 50962822
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655
3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 11243580
1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11279727
4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
CID 11288932
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 11392180
1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392584
1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392794

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine (CID 11186376) is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine is CSc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine?
The InChIKey is SOYBWXLQJMCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-20-15-3-2-14(21-15)9-18-6-4-13(5-7-18)19-10-12-8-16-11-17-12/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,16,17).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine has a molecular weight of 323.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 11186376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).