1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine

C22H27N3O — CID 141130550

IUPAC1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine
SMILESCn1c(-c2cccc3ccccc23)cnc1OCCCN1CCCCC1
InChIInChI=1S/C22H27N3O/c1-24-21(20-12-7-10-18-9-3-4-11-19(18)20)17-23-22(24)26-16-8-15-25-13-5-2-6-14-25/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3
InChIKeyJOLKDEWKAGTBGI-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.50
Rot. Bonds6

About 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine

1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine (PubChem CID 141130550) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine.

Molecular Properties

Compound Name1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine
PubChem CID141130550
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine
SMILESCn1c(-c2cccc3ccccc23)cnc1OCCCN1CCCCC1
InChIInChI=1S/C22H27N3O/c1-24-21(20-12-7-10-18-9-3-4-11-19(18)20)17-23-22(24)26-16-8-15-25-13-5-2-6-14-25/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3
InChIKeyJOLKDEWKAGTBGI-UHFFFAOYSA-N
XLogP4.50
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
CID 11661415
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 90720781
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
CID 21256754
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7664936

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine?
The IUPAC name of 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine (CID 141130550) is 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine.
What is the SMILES notation for 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine?
The canonical SMILES for 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine is Cn1c(-c2cccc3ccccc23)cnc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine?
The InChIKey is JOLKDEWKAGTBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24-21(20-12-7-10-18-9-3-4-11-19(18)20)17-23-22(24)26-16-8-15-25-13-5-2-6-14-25/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3.
What are the key properties of 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine?
1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine is sourced from PubChem (CID 141130550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).