(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H17Cl2NO2 — CID 62371472

IUPAC(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(CCO)C1
InChIInChI=1S/C14H17Cl2NO2/c15-11-3-4-13(16)12(8-11)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9H2
InChIKeyAEFSAKCUJXXNGJ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.23
Rot. Bonds3

About (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62371472) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62371472
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(CCO)C1
InChIInChI=1S/C14H17Cl2NO2/c15-11-3-4-13(16)12(8-11)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9H2
InChIKeyAEFSAKCUJXXNGJ-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 120727640
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62371472) is (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCCC(CCO)C1.
What is the InChIKey of (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is AEFSAKCUJXXNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-11-3-4-13(16)12(8-11)14(19)17-6-1-2-10(9-17)5-7-18/h3-4,8,10,18H,1-2,5-7,9H2.
What are the key properties of (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 302.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62371472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).