1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane

C13H25N3 — CID 145343687

IUPAC1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(CC2=CN=CCC2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-2/h4,9H,2-3,5-8,10H2,1H3;1-2H3
InChIKeySMTQSANSVHEQBK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.01
Rot. Bonds2

About 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane

1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane (PubChem CID 145343687) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane
PubChem CID145343687
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(CC2=CN=CCC2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-2/h4,9H,2-3,5-8,10H2,1H3;1-2H3
InChIKeySMTQSANSVHEQBK-UHFFFAOYSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane (CID 145343687) is 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane is CC.CN1CCN(CC2=CN=CCC2)CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane?
The InChIKey is SMTQSANSVHEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-2/h4,9H,2-3,5-8,10H2,1H3;1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane?
1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane has a molecular weight of 223.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine;ethane is sourced from PubChem (CID 145343687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).