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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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).