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

C15H21N3OS — CID 11392180

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C15H21N3OS/c1-12-2-3-15(20-12)9-18-6-4-14(5-7-18)19-10-13-8-16-11-17-13/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,16,17)
InChIKeySJOQCSVNJWFMAL-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.96
Rot. Bonds5

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

4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 11392180) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID11392180
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C15H21N3OS/c1-12-2-3-15(20-12)9-18-6-4-14(5-7-18)19-10-13-8-16-11-17-13/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,16,17)
InChIKeySJOQCSVNJWFMAL-UHFFFAOYSA-N
XLogP2.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110117067
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-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
CID 11186376
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-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 11288834
4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
CID 11288932

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 11392180) is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is SJOQCSVNJWFMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-2-3-15(20-12)9-18-6-4-14(5-7-18)19-10-13-8-16-11-17-13/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,16,17).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 291.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 11392180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).