3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol

C15H15ClFN3O — CID 136575332

IUPAC3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(c3c(F)cncc3Cl)CC2)c1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-18-10-14(17)15(13)20-6-4-19(5-7-20)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2
InChIKeySEQRZJOYNNAHKU-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.91
Rot. Bonds2

About 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol

3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol (PubChem CID 136575332) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol
PubChem CID136575332
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(c3c(F)cncc3Cl)CC2)c1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-18-10-14(17)15(13)20-6-4-19(5-7-20)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2
InChIKeySEQRZJOYNNAHKU-UHFFFAOYSA-N
XLogP2.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[4-(3-hydroxyphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 134069396
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
CID 146145536
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
3-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]phenol
CID 166257159
2-chloro-4-(4-phenylpiperazin-1-yl)phenol
CID 174508303
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096
3-(4,4-diethylpiperazin-4-ium-1-yl)phenol
CID 127039966
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
[4-(3-hydroxyphenyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 146122602
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol?
The IUPAC name of 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol (CID 136575332) is 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol is Oc1cccc(N2CCN(c3c(F)cncc3Cl)CC2)c1.
What is the InChIKey of 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol?
The InChIKey is SEQRZJOYNNAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-13-9-18-10-14(17)15(13)20-6-4-19(5-7-20)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2.
What are the key properties of 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol?
3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol has a molecular weight of 307.76 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol is sourced from PubChem (CID 136575332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).