2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine

C14H24N4 — CID 113482474

IUPAC2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(N2CCN(CC(C)CN)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-12(10-15)11-17-5-7-18(8-6-17)14-3-4-16-13(2)9-14/h3-4,9,12H,5-8,10-11,15H2,1-2H3
InChIKeyGZPSKDYRMVUBRL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.11
Rot. Bonds4

About 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine (PubChem CID 113482474) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
PubChem CID113482474
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(N2CCN(CC(C)CN)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-12(10-15)11-17-5-7-18(8-6-17)14-3-4-16-13(2)9-14/h3-4,9,12H,5-8,10-11,15H2,1-2H3
InChIKeyGZPSKDYRMVUBRL-UHFFFAOYSA-N
XLogP1.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine (CID 113482474) is 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine is Cc1cc(N2CCN(CC(C)CN)CC2)ccn1.
What is the InChIKey of 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine?
The InChIKey is GZPSKDYRMVUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(10-15)11-17-5-7-18(8-6-17)14-3-4-16-13(2)9-14/h3-4,9,12H,5-8,10-11,15H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 113482474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).