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

C11H19N3 — CID 145343688

IUPAC1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CN=CCC2)CC1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h4,9H,2-3,5-8,10H2,1H3
InChIKeyNVPPXBURCXTUCS-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.98
Rot. Bonds2

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

1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine (PubChem CID 145343688) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine
PubChem CID145343688
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CN=CCC2)CC1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h4,9H,2-3,5-8,10H2,1H3
InChIKeyNVPPXBURCXTUCS-UHFFFAOYSA-N
XLogP0.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine (CID 145343688) is 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine is CN1CCN(CC2=CN=CCC2)CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine?
The InChIKey is NVPPXBURCXTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h4,9H,2-3,5-8,10H2,1H3.
What are the key properties of 1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine?
1-(3,4-dihydropyridin-5-ylmethyl)-4-methylpiperazine has a molecular weight of 193.29 g/mol, XLogP of 0.98, 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 is sourced from PubChem (CID 145343688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).