1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine

C10H17N3 — CID 123927956

IUPAC1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine
SMILESCN1CCN(C2=NCC=CC2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-3H,4-9H2,1H3
InChIKeyCUSHSXYOVXMGQX-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.59
Rot. Bonds

About 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine

1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine (PubChem CID 123927956) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine
PubChem CID123927956
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine
SMILESCN1CCN(C2=NCC=CC2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-3H,4-9H2,1H3
InChIKeyCUSHSXYOVXMGQX-UHFFFAOYSA-N
XLogP0.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013
1-methyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56620050
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
CID 56627937
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56629172
2-ethyl-N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56631950
N-ethyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56632499
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine (CID 123927956) is 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine is CN1CCN(C2=NCC=CC2)CC1.
What is the InChIKey of 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine?
The InChIKey is CUSHSXYOVXMGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-3H,4-9H2,1H3.
What are the key properties of 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine?
1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine has a molecular weight of 179.27 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyridin-6-yl)-4-methylpiperazine is sourced from PubChem (CID 123927956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).