4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine

C14H19N3OS — CID 11288932

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
SMILESc1ncc(COC2CCN(Cc3ccsc3)CC2)[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-17(8-12-3-6-19-10-12)5-2-14(1)18-9-13-7-15-11-16-13/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,15,16)
InChIKeyWXPQQYXIJFGIAU-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.65
Rot. Bonds5

About 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine

4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 11288932) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
PubChem CID11288932
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
SMILESc1ncc(COC2CCN(Cc3ccsc3)CC2)[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-17(8-12-3-6-19-10-12)5-2-14(1)18-9-13-7-15-11-16-13/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,15,16)
InChIKeyWXPQQYXIJFGIAU-UHFFFAOYSA-N
XLogP2.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11449605
4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole
CID 58941735
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655
(4aS,8aR)-1-[2-(1H-imidazol-5-yl)ethyl]-6-(thiophen-3-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56908452
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
[1-(thiophen-3-ylmethyl)piperidin-4-yl] 5-methylpyridine-3-carboxylate
CID 75384152
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 15282255
2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11198440
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
(4-methylphenyl)methyl 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxypropanoate
CID 154704719

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine (CID 11288932) is 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine is c1ncc(COC2CCN(Cc3ccsc3)CC2)[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is WXPQQYXIJFGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-17(8-12-3-6-19-10-12)5-2-14(1)18-9-13-7-15-11-16-13/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,15,16).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 277.39 g/mol, XLogP of 2.65, 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-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 11288932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).