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

C10H17N3 — CID 170605065

IUPAC1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h3,9H,2,4-8H2,1H3
InChIKeyTUFUSXKWUUESAM-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.59
Rot. Bonds1

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

1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine (PubChem CID 170605065) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine
PubChem CID170605065
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h3,9H,2,4-8H2,1H3
InChIKeyTUFUSXKWUUESAM-UHFFFAOYSA-N
XLogP0.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
4-Methyl-7-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 90746711
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
CID 139449171
N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 142275858
(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 142400462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine (CID 170605065) is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine is CN1CCN(C2=CCCN=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine?
The InChIKey is TUFUSXKWUUESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h3,9H,2,4-8H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine?
1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine has a molecular weight of 179.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine is sourced from PubChem (CID 170605065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).