N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine

C16H22N4 — CID 79719670

IUPACN-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
SMILESCCN(CC1CCNCC1)c1nncc2ccccc12
InChIInChI=1S/C16H22N4/c1-2-20(12-13-7-9-17-10-8-13)16-15-6-4-3-5-14(15)11-18-19-16/h3-6,11,13,17H,2,7-10,12H2,1H3
InChIKeyZKBWEGUUOKUSOX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine

N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine (PubChem CID 79719670) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
PubChem CID79719670
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
SMILESCCN(CC1CCNCC1)c1nncc2ccccc12
InChIInChI=1S/C16H22N4/c1-2-20(12-13-7-9-17-10-8-13)16-15-6-4-3-5-14(15)11-18-19-16/h3-6,11,13,17H,2,7-10,12H2,1H3
InChIKeyZKBWEGUUOKUSOX-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
N-(azetidin-3-yl)-N-ethylphthalazin-1-amine
CID 66182409
[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
CID 107400671
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 79719885
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
CID 119932268
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
N-ethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732733
1-[cyclobutylmethyl(ethyl)amino]isoquinoline-3-carboxylic acid
CID 107399143
N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133302138
N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
CID 62586186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine (CID 79719670) is N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine is CCN(CC1CCNCC1)c1nncc2ccccc12.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is ZKBWEGUUOKUSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-20(12-13-7-9-17-10-8-13)16-15-6-4-3-5-14(15)11-18-19-16/h3-6,11,13,17H,2,7-10,12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine?
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 79719670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).