3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine

C15H26N4 — CID 103181940

IUPAC3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine
SMILESCCCN1CCN(Cc2ncc(C)c(N)c2C)CC1
InChIInChI=1S/C15H26N4/c1-4-5-18-6-8-19(9-7-18)11-14-13(3)15(16)12(2)10-17-14/h10H,4-9,11H2,1-3H3,(H2,16,17)
InChIKeyVOIUEBWMZUGATL-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.81
Rot. Bonds4

About 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine

3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine (PubChem CID 103181940) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine
PubChem CID103181940
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine
SMILESCCCN1CCN(Cc2ncc(C)c(N)c2C)CC1
InChIInChI=1S/C15H26N4/c1-4-5-18-6-8-19(9-7-18)11-14-13(3)15(16)12(2)10-17-14/h10H,4-9,11H2,1-3H3,(H2,16,17)
InChIKeyVOIUEBWMZUGATL-UHFFFAOYSA-N
XLogP1.81
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine (CID 103181940) is 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine is CCCN1CCN(Cc2ncc(C)c(N)c2C)CC1.
What is the InChIKey of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine?
The InChIKey is VOIUEBWMZUGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-5-18-6-8-19(9-7-18)11-14-13(3)15(16)12(2)10-17-14/h10H,4-9,11H2,1-3H3,(H2,16,17).
What are the key properties of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine?
3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103181940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).