1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine

C14H19Cl2NO — CID 2364331

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2NO/c1-11-4-6-17(7-5-11)8-9-18-14-10-12(15)2-3-13(14)16/h2-3,10-11H,4-9H2,1H3
InChIKeyYNZYISZLKPCFEX-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine

1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine (PubChem CID 2364331) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
PubChem CID2364331
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2NO/c1-11-4-6-17(7-5-11)8-9-18-14-10-12(15)2-3-13(14)16/h2-3,10-11H,4-9H2,1H3
InChIKeyYNZYISZLKPCFEX-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4S)-1-[2-(2,5-dichlorophenoxy)ethyl]azepan-4-yl]acetate
CID 124730726
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 112840866
1-cyclopropylsulfonyl-4-[2-(2,5-dichlorophenoxy)ethyl]-1,4-diazepane
CID 126799490
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine (CID 2364331) is 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine is CC1CCN(CCOc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine?
The InChIKey is YNZYISZLKPCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-11-4-6-17(7-5-11)8-9-18-14-10-12(15)2-3-13(14)16/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine?
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine has a molecular weight of 288.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 2364331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).