1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

C10H17N3 — CID 146890252

IUPAC1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCC1C=CC=NC1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2-4,9-11H,5-8H2,1H3
InChIKeySZBGGHCLBAERRB-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (PubChem CID 146890252) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
PubChem CID146890252
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCC1C=CC=NC1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2-4,9-11H,5-8H2,1H3
InChIKeySZBGGHCLBAERRB-UHFFFAOYSA-N
XLogP0.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperazin-1-yl-2H-pyridin-3-amine
CID 19981942
1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
CID 58270271
1-Tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 90871964
1-(2,5-Dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
CID 91076121
2,3,5a,9a-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine
CID 91094637
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
CID 137383022
(4R)-3,4-dimethyl-2-piperazin-1-yl-4H-azepine
CID 143566763
ethane;(Z)-N-(2-piperazin-1-ylethyl)pent-2-en-1-imine
CID 144144783
(Z,Z)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)-2-methylbut-1-enyl]but-2-en-1-imine
CID 144745251
N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine
CID 166813243
(Z)-N-(2-piperazin-1-ylethyl)pent-2-en-1-imine
CID 144144784

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The IUPAC name of 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (CID 146890252) is 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.
What is the SMILES notation for 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The canonical SMILES for 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is CC1C=CC=NC1N1CCNCC1.
What is the InChIKey of 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The InChIKey is SZBGGHCLBAERRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is sourced from PubChem (CID 146890252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).