N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine

C15H20N4 — CID 54923632

IUPACN-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
SMILESCNC1CCN(c2nnc(C)c3ccccc23)CC1
InChIInChI=1S/C15H20N4/c1-11-13-5-3-4-6-14(13)15(18-17-11)19-9-7-12(16-2)8-10-19/h3-6,12,16H,7-10H2,1-2H3
InChIKeyKSBKWOUOYRKCOG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine

N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine (PubChem CID 54923632) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
PubChem CID54923632
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
SMILESCNC1CCN(c2nnc(C)c3ccccc23)CC1
InChIInChI=1S/C15H20N4/c1-11-13-5-3-4-6-14(13)15(18-17-11)19-9-7-12(16-2)8-10-19/h3-6,12,16H,7-10H2,1-2H3
InChIKeyKSBKWOUOYRKCOG-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
CID 113282080
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101
1-(3-bromo-4-methylpiperidin-1-yl)-4-methylphthalazine
CID 102961043
2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
CID 171323570
[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
CID 87338891
N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893039
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944879
2-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994690
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97144056
N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912034

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine (CID 54923632) is N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine is CNC1CCN(c2nnc(C)c3ccccc23)CC1.
What is the InChIKey of N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The InChIKey is KSBKWOUOYRKCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-13-5-3-4-6-14(13)15(18-17-11)19-9-7-12(16-2)8-10-19/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine?
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine is sourced from PubChem (CID 54923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).