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

C16H23N3OS — CID 11392584

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESCCc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C16H23N3OS/c1-2-15-3-4-16(21-15)10-19-7-5-14(6-8-19)20-11-13-9-17-12-18-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,17,18)
InChIKeyOJKKBNJSQUNBEA-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.21
Rot. Bonds6

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

1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11392584) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11392584
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESCCc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C16H23N3OS/c1-2-15-3-4-16(21-15)10-19-7-5-14(6-8-19)20-11-13-9-17-12-18-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,17,18)
InChIKeyOJKKBNJSQUNBEA-UHFFFAOYSA-N
XLogP3.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11392584) is 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is CCc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is OJKKBNJSQUNBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-15-3-4-16(21-15)10-19-7-5-14(6-8-19)20-11-13-9-17-12-18-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 305.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11392584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).