3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal

C15H24N4O — CID 87698856

IUPAC3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal
SMILESCc1cc(N2CCN(CC(C)(C)C=O)CC2)ncc1N
InChIInChI=1S/C15H24N4O/c1-12-8-14(17-9-13(12)16)19-6-4-18(5-7-19)10-15(2,3)11-20/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyJWXHIXBCBYJVNQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.32
Rot. Bonds4

About 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal

3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal (PubChem CID 87698856) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal
PubChem CID87698856
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal
SMILESCc1cc(N2CCN(CC(C)(C)C=O)CC2)ncc1N
InChIInChI=1S/C15H24N4O/c1-12-8-14(17-9-13(12)16)19-6-4-18(5-7-19)10-15(2,3)11-20/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyJWXHIXBCBYJVNQ-UHFFFAOYSA-N
XLogP1.32
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal (CID 87698856) is 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal is Cc1cc(N2CCN(CC(C)(C)C=O)CC2)ncc1N.
What is the InChIKey of 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal?
The InChIKey is JWXHIXBCBYJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-8-14(17-9-13(12)16)19-6-4-18(5-7-19)10-15(2,3)11-20/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal?
3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal has a molecular weight of 276.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 87698856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).