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

C21H22ClFN4 — CID 169230288

IUPAC4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
SMILESFCCN1CCCC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C21H22ClFN4/c22-16-9-7-15(8-10-16)20-18-5-1-2-6-19(18)21(26-25-20)24-17-4-3-12-27(14-17)13-11-23/h1-2,5-10,17H,3-4,11-14H2,(H,24,26)
InChIKeyBXWRWSVCOLJFOF-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.80
Rot. Bonds5

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

4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine (PubChem CID 169230288) has the molecular formula C21H22ClFN4 and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
PubChem CID169230288
Molecular FormulaC21H22ClFN4
Molecular Weight384.89 g/mol
Exact Mass384.15
IUPAC Name4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
SMILESFCCN1CCCC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C21H22ClFN4/c22-16-9-7-15(8-10-16)20-18-5-1-2-6-19(18)21(26-25-20)24-17-4-3-12-27(14-17)13-11-23/h1-2,5-10,17H,3-4,11-14H2,(H,24,26)
InChIKeyBXWRWSVCOLJFOF-UHFFFAOYSA-N
XLogP4.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
CID 169230447
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 170165639
N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 169230521
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
3-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]cyclobutan-1-ol
CID 169230291
3-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]-1-methylcyclohexan-1-ol
CID 169230251
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine
CID 174265765
7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine
CID 174265754
4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine
CID 169230232

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine (CID 169230288) is 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine is FCCN1CCCC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine?
The InChIKey is BXWRWSVCOLJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4/c22-16-9-7-15(8-10-16)20-18-5-1-2-6-19(18)21(26-25-20)24-17-4-3-12-27(14-17)13-11-23/h1-2,5-10,17H,3-4,11-14H2,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine?
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine has a molecular weight of 384.89 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine is sourced from PubChem (CID 169230288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).