2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol

C18H21ClFN3O — CID 111421571

IUPAC2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1F
InChIInChI=1S/C18H21ClFN3O/c19-18-6-5-14(11-21-18)12-22-7-9-23(10-8-22)13-17(24)15-3-1-2-4-16(15)20/h1-6,11,17,24H,7-10,12-13H2
InChIKeyMXYAUEJISVADBI-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol

2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 111421571) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
PubChem CID111421571
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1F
InChIInChI=1S/C18H21ClFN3O/c19-18-6-5-14(11-21-18)12-22-7-9-23(10-8-22)13-17(24)15-3-1-2-4-16(15)20/h1-6,11,17,24H,7-10,12-13H2
InChIKeyMXYAUEJISVADBI-UHFFFAOYSA-N
XLogP2.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
(7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894426
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11188910
(-)-(3R,4R)-4-(2-Chloro-4-fluorophenyl)-3-hydroxy-1-{[(6R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-6-yl]methyl}piperidinium Chloride
CID 11326750
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
2-[4-(2-Phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 24784658
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943
4-(3-Fluoro-phenyl)-1-pyridin-4-ylmethyl-piperidin-4-ol
CID 645747
2-[2-(3,4-Dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
CID 11743621
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol (CID 111421571) is 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol is OC(CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1F.
What is the InChIKey of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is MXYAUEJISVADBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c19-18-6-5-14(11-21-18)12-22-7-9-23(10-8-22)13-17(24)15-3-1-2-4-16(15)20/h1-6,11,17,24H,7-10,12-13H2.
What are the key properties of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol?
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 349.84 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 111421571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).