(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H17ClFNO2 — CID 62372699

IUPAC(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(CCO)C1
InChIInChI=1S/C14H17ClFNO2/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
InChIKeySZHZMJMUCAFTKU-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.71
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62372699) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62372699
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(CCO)C1
InChIInChI=1S/C14H17ClFNO2/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
InChIKeySZHZMJMUCAFTKU-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
[3-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186874
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62372699) is (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCCC(CCO)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is SZHZMJMUCAFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/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 (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 285.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62372699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).