4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine

C15H18ClN3O — CID 56902522

IUPAC4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
SMILESClc1ccccc1OC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-4-14(13)20-12-5-9-19(10-6-12)11-15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18)
InChIKeyQGQLNQKIOLYPQB-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.11
Rot. Bonds4

About 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine

4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine (PubChem CID 56902522) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
PubChem CID56902522
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
SMILESClc1ccccc1OC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-4-14(13)20-12-5-9-19(10-6-12)11-15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18)
InChIKeyQGQLNQKIOLYPQB-UHFFFAOYSA-N
XLogP3.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 56910012
3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 126774849
(1S,5R)-6-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 154894592
4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-3-methyl-4-phenoxypiperidin-3-ol
CID 110145920
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine (CID 56902522) is 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine is Clc1ccccc1OC1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine?
The InChIKey is QGQLNQKIOLYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-2-4-14(13)20-12-5-9-19(10-6-12)11-15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18).
What are the key properties of 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine?
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine has a molecular weight of 291.78 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine is sourced from PubChem (CID 56902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).