(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone

C18H19ClFN3O2 — CID 136525292

IUPAC(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-4-2-3-14(21-17)12-22-7-9-23(10-8-22)18(24)15-6-5-13(19)11-16(15)20/h2-6,11H,7-10,12H2,1H3
InChIKeyPLVHLPGYVQEBSC-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.84
Rot. Bonds4

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

(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 136525292) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID136525292
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-4-2-3-14(21-17)12-22-7-9-23(10-8-22)18(24)15-6-5-13(19)11-16(15)20/h2-6,11H,7-10,12H2,1H3
InChIKeyPLVHLPGYVQEBSC-UHFFFAOYSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone 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

[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38322173
[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 86788723
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 62647514
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 133401120
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
2-[4-(4-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823558
3-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119771313
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone (CID 136525292) is (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone is COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PLVHLPGYVQEBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-25-17-4-2-3-14(21-17)12-22-7-9-23(10-8-22)18(24)15-6-5-13(19)11-16(15)20/h2-6,11H,7-10,12H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone?
(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 363.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 136525292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).