2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol

C21H23FN4O — CID 170165639

IUPAC2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
SMILESOc1ccccc1-c1nnc(NC2CCCN(CCF)C2)c2ccccc12
InChIInChI=1S/C21H23FN4O/c22-11-13-26-12-5-6-15(14-26)23-21-17-8-2-1-7-16(17)20(24-25-21)18-9-3-4-10-19(18)27/h1-4,7-10,15,27H,5-6,11-14H2,(H,23,25)
InChIKeyYAQCQDWFKZAWHJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol

2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol (PubChem CID 170165639) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
PubChem CID170165639
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
SMILESOc1ccccc1-c1nnc(NC2CCCN(CCF)C2)c2ccccc12
InChIInChI=1S/C21H23FN4O/c22-11-13-26-12-5-6-15(14-26)23-21-17-8-2-1-7-16(17)20(24-25-21)18-9-3-4-10-19(18)27/h1-4,7-10,15,27H,5-6,11-14H2,(H,23,25)
InChIKeyYAQCQDWFKZAWHJ-UHFFFAOYSA-N
XLogP3.85
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
CID 169230447
2-[4-[[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]amino]phthalazin-1-yl]-5-ethynylphenol
CID 170027495
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
2-[4-[[1-(cyclopropylmethyl)piperidin-3-yl]amino]phthalazin-1-yl]-5-methylsulfonylphenol
CID 177308729
2-fluoro-3-methyl-6-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 171852070
2-[1-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171852750
N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 169230521
3-(ethoxymethoxy)-4-[4-[[1-(2-hydroxyethyl)piperidin-3-yl]amino]phthalazin-1-yl]benzonitrile
CID 175368263
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
2-[4-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol?
The IUPAC name of 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol (CID 170165639) is 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol is Oc1ccccc1-c1nnc(NC2CCCN(CCF)C2)c2ccccc12.
What is the InChIKey of 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol?
The InChIKey is YAQCQDWFKZAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-11-13-26-12-5-6-15(14-26)23-21-17-8-2-1-7-16(17)20(24-25-21)18-9-3-4-10-19(18)27/h1-4,7-10,15,27H,5-6,11-14H2,(H,23,25).
What are the key properties of 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol?
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol has a molecular weight of 366.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol is sourced from PubChem (CID 170165639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).