[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone

C17H17ClFN3O2 — CID 86788723

IUPAC[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1F)N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClFN3O2/c18-12-1-2-13(20-10-12)11-21-5-7-22(8-6-21)17(24)15-4-3-14(23)9-16(15)19/h1-4,9-10,23H,5-8,11H2
InChIKeySFPDNFLETAHFNG-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.54
Rot. Bonds3

About [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone

[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 86788723) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID86788723
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1F)N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClFN3O2/c18-12-1-2-13(20-10-12)11-21-5-7-22(8-6-21)17(24)15-4-3-14(23)9-16(15)19/h1-4,9-10,23H,5-8,11H2
InChIKeySFPDNFLETAHFNG-UHFFFAOYSA-N
XLogP2.54
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 136525292
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 62647514
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674352
2-[4-(4-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823558
1-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 139002246
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674394
(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92572364
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
1-(2-fluoro-4-hydroxybenzoyl)-1,4-diazepan-5-one
CID 104929759
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (CID 86788723) is [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1F)N1CCN(Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is SFPDNFLETAHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-12-1-2-13(20-10-12)11-21-5-7-22(8-6-21)17(24)15-4-3-14(23)9-16(15)19/h1-4,9-10,23H,5-8,11H2.
What are the key properties of [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 349.79 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 86788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).