1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine

C12H21N3 — CID 123287693

IUPAC1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
SMILESCC1=NC=C(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C12H21N3/c1-10-8-11(2)13-9-12(10)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyMEWRLNXUBPDJCC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.58
Rot. Bonds1

About 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine

1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine (PubChem CID 123287693) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
PubChem CID123287693
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
SMILESCC1=NC=C(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C12H21N3/c1-10-8-11(2)13-9-12(10)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyMEWRLNXUBPDJCC-UHFFFAOYSA-N
XLogP1.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine
CID 121480611
1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
CID 129029109
(7R)-2,7-dimethyl-3,4,6,7,8,9-hexahydropyrido[1,2-a]pyrazine
CID 141806125
1-Methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 142358594
2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
CID 142358638
N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane
CID 145198185
3-N,4-N-dimethyl-1-(3-methylpent-1-en-2-yl)piperidine-3,4-diimine
CID 172383256
2-Methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 143466930
N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine
CID 145198186

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine (CID 123287693) is 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine is CC1=NC=C(N2CCN(C)CC2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine?
The InChIKey is MEWRLNXUBPDJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-8-11(2)13-9-12(10)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine?
1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine has a molecular weight of 207.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine is sourced from PubChem (CID 123287693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).