1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine

C10H17N3 — CID 123693422

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

About 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine

1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine (PubChem CID 123693422) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine
PubChem CID123693422
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine
SMILESCN1CCN(C2=NCCC=C2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2,4H,3,5-9H2,1H3
InChIKeyCWINWBFOAPJROK-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

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Related Compounds

3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
1-(2,5-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123927956
1-(2,3-Dihydropyridin-6-yl)-4-propan-2-ylpiperazine
CID 129260234
N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 142390625
7-(4-methylpiperazin-1-yl)-4H-azepine
CID 143306016
(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine
CID 143866475
(2Z)-N,4-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024471
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517
(Z)-1-(4-ethylpiperazin-1-yl)-N,3-dimethylpent-2-en-1-imine
CID 145657795
(Z)-N,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-imine
CID 145657944
(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine
CID 155198666
(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 155735262

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine (CID 123693422) is 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine is CN1CCN(C2=NCCC=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine?
The InChIKey is CWINWBFOAPJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2,4H,3,5-9H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-6-yl)-4-methylpiperazine?
1-(2,3-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-(2,3-dihydropyridin-6-yl)-4-methylpiperazine is sourced from PubChem (CID 123693422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).