1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

C15H21Cl2NO — CID 114426133

IUPAC1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-10-5-6-18-12(7-10)9-15(19)13-4-3-11(16)8-14(13)17/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3
InChIKeyCOOJHYDARPDXCX-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.20
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (PubChem CID 114426133) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
PubChem CID114426133
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-10-5-6-18-12(7-10)9-15(19)13-4-3-11(16)8-14(13)17/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3
InChIKeyCOOJHYDARPDXCX-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 114852894
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 66156284
2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
CID 114426128
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
2-piperidin-2-yl-1-(2,3,6-trichlorophenanthren-9-yl)ethanol
CID 90668908
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (CID 114426133) is 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is CCC1CCNC(CC(O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The InChIKey is COOJHYDARPDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-10-5-6-18-12(7-10)9-15(19)13-4-3-11(16)8-14(13)17/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol has a molecular weight of 302.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is sourced from PubChem (CID 114426133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).