2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine

C15H21Cl2N — CID 114426169

IUPAC2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
SMILESCCC1CCNC(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-11-7-8-18-14(9-11)5-3-12-10-13(16)4-6-15(12)17/h4,6,10-11,14,18H,2-3,5,7-9H2,1H3
InChIKeyGDNBWMYRBGXFSB-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.70
Rot. Bonds4

About 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine

2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine (PubChem CID 114426169) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
PubChem CID114426169
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
SMILESCCC1CCNC(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-11-7-8-18-14(9-11)5-3-12-10-13(16)4-6-15(12)17/h4,6,10-11,14,18H,2-3,5,7-9H2,1H3
InChIKeyGDNBWMYRBGXFSB-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426133
2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
CID 114426186
2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 116686192
4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
CID 114426204
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
4-ethyl-2-[2-(3-methylthiophen-2-yl)ethyl]piperidine
CID 114426164
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
CID 114426180
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
CID 65317407
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 114852894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine (CID 114426169) is 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine is CCC1CCNC(CCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine?
The InChIKey is GDNBWMYRBGXFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-11-7-8-18-14(9-11)5-3-12-10-13(16)4-6-15(12)17/h4,6,10-11,14,18H,2-3,5,7-9H2,1H3.
What are the key properties of 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine?
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine has a molecular weight of 286.25 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine is sourced from PubChem (CID 114426169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).