4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine

C19H29N3O2S — CID 3713552

IUPAC4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H29N3O2S/c1-2-23-12-13-24-11-10-22-9-6-20-19(22)18-3-7-21(8-4-18)15-17-5-14-25-16-17/h5-6,9,14,16,18H,2-4,7-8,10-13,15H2,1H3
InChIKeyFXXCYKSDNAZMQX-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.38
Rot. Bonds10

About 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine

4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 3713552) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine
PubChem CID3713552
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H29N3O2S/c1-2-23-12-13-24-11-10-22-9-6-20-19(22)18-3-7-21(8-4-18)15-17-5-14-25-16-17/h5-6,9,14,16,18H,2-4,7-8,10-13,15H2,1H3
InChIKeyFXXCYKSDNAZMQX-UHFFFAOYSA-N
XLogP3.38
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine (CID 3713552) is 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine is CCOCCOCCn1ccnc1C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is FXXCYKSDNAZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-2-23-12-13-24-11-10-22-9-6-20-19(22)18-3-7-21(8-4-18)15-17-5-14-25-16-17/h5-6,9,14,16,18H,2-4,7-8,10-13,15H2,1H3.
What are the key properties of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine?
4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 363.53 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 3713552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).