1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine

C16H21ClN4 — CID 62140804

IUPAC1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C16H21ClN4/c1-20(2)11-12-7-9-21(10-8-12)16-14-6-4-3-5-13(14)15(17)18-19-16/h3-6,12H,7-11H2,1-2H3
InChIKeyIZTMAEXKTBMUIU-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.06
Rot. Bonds3

About 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 62140804) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID62140804
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C16H21ClN4/c1-20(2)11-12-7-9-21(10-8-12)16-14-6-4-3-5-13(14)15(17)18-19-16/h3-6,12H,7-11H2,1-2H3
InChIKeyIZTMAEXKTBMUIU-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 62140804) is 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2nnc(Cl)c3ccccc23)CC1.
What is the InChIKey of 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is IZTMAEXKTBMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-20(2)11-12-7-9-21(10-8-12)16-14-6-4-3-5-13(14)15(17)18-19-16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62140804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).