N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine

C22H25FN4O — CID 169230447

IUPACN-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(NC3CCCN(CCF)C3)c3ccccc23)cc1
InChIInChI=1S/C22H25FN4O/c1-28-18-10-8-16(9-11-18)21-19-6-2-3-7-20(19)22(26-25-21)24-17-5-4-13-27(15-17)14-12-23/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,26)
InChIKeyVFFXQVJTBLIDDT-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine

N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine (PubChem CID 169230447) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
PubChem CID169230447
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(NC3CCCN(CCF)C3)c3ccccc23)cc1
InChIInChI=1S/C22H25FN4O/c1-28-18-10-8-16(9-11-18)21-19-6-2-3-7-20(19)22(26-25-21)24-17-5-4-13-27(15-17)14-12-23/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,26)
InChIKeyVFFXQVJTBLIDDT-UHFFFAOYSA-N
XLogP4.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 169230521
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 170165639
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68918799
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
4-(4-fluorophenyl)-7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69211505
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
N-[1-[[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine;trihydrochloride
CID 68919183

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine?
The IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine (CID 169230447) is N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine?
The canonical SMILES for N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine is COc1ccc(-c2nnc(NC3CCCN(CCF)C3)c3ccccc23)cc1.
What is the InChIKey of N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine?
The InChIKey is VFFXQVJTBLIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-28-18-10-8-16(9-11-18)21-19-6-2-3-7-20(19)22(26-25-21)24-17-5-4-13-27(15-17)14-12-23/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine?
N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine has a molecular weight of 380.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 169230447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).