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

C15H22N4O — CID 11288834

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCn1cccc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-2-3-14(18)10-19-7-4-15(5-8-19)20-11-13-9-16-12-17-13/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3,(H,16,17)
InChIKeyWDVRFWWENOROAB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.93
Rot. Bonds5

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

4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine (PubChem CID 11288834) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
PubChem CID11288834
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCn1cccc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-2-3-14(18)10-19-7-4-15(5-8-19)20-11-13-9-16-12-17-13/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3,(H,16,17)
InChIKeyWDVRFWWENOROAB-UHFFFAOYSA-N
XLogP1.93
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine (CID 11288834) is 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine is Cn1cccc1CN1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The InChIKey is WDVRFWWENOROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-2-3-14(18)10-19-7-4-15(5-8-19)20-11-13-9-16-12-17-13/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[(1-methylpyrrol-2-yl)methyl]piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.93, 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-[(1-methylpyrrol-2-yl)methyl]piperidine is sourced from PubChem (CID 11288834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).