N-(4-methylpiperidin-4-yl)phthalazin-1-amine

C14H18N4 — CID 114696937

IUPACN-(4-methylpiperidin-4-yl)phthalazin-1-amine
SMILESCC1(Nc2nncc3ccccc23)CCNCC1
InChIInChI=1S/C14H18N4/c1-14(6-8-15-9-7-14)17-13-12-5-3-2-4-11(12)10-16-18-13/h2-5,10,15H,6-9H2,1H3,(H,17,18)
InChIKeyKFZFMTIUTRYRNZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.18
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)phthalazin-1-amine

N-(4-methylpiperidin-4-yl)phthalazin-1-amine (PubChem CID 114696937) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)phthalazin-1-amine
PubChem CID114696937
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(4-methylpiperidin-4-yl)phthalazin-1-amine
SMILESCC1(Nc2nncc3ccccc23)CCNCC1
InChIInChI=1S/C14H18N4/c1-14(6-8-15-9-7-14)17-13-12-5-3-2-4-11(12)10-16-18-13/h2-5,10,15H,6-9H2,1H3,(H,17,18)
InChIKeyKFZFMTIUTRYRNZ-UHFFFAOYSA-N
XLogP2.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)phthalazin-1-amine?
The IUPAC name of N-(4-methylpiperidin-4-yl)phthalazin-1-amine (CID 114696937) is N-(4-methylpiperidin-4-yl)phthalazin-1-amine.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)phthalazin-1-amine?
The canonical SMILES for N-(4-methylpiperidin-4-yl)phthalazin-1-amine is CC1(Nc2nncc3ccccc23)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)phthalazin-1-amine?
The InChIKey is KFZFMTIUTRYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(6-8-15-9-7-14)17-13-12-5-3-2-4-11(12)10-16-18-13/h2-5,10,15H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(4-methylpiperidin-4-yl)phthalazin-1-amine?
N-(4-methylpiperidin-4-yl)phthalazin-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)phthalazin-1-amine is sourced from PubChem (CID 114696937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).