1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine

C10H19N3 — CID 163952102

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine
SMILESCN1CC=CCC1N1CCNCC1
InChIInChI=1S/C10H19N3/c1-12-7-3-2-4-10(12)13-8-5-11-6-9-13/h2-3,10-11H,4-9H2,1H3
InChIKeySAFJQXKFCZDHEY-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.11
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine

1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine (PubChem CID 163952102) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine
PubChem CID163952102
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine
SMILESCN1CC=CCC1N1CCNCC1
InChIInChI=1S/C10H19N3/c1-12-7-3-2-4-10(12)13-8-5-11-6-9-13/h2-3,10-11H,4-9H2,1H3
InChIKeySAFJQXKFCZDHEY-UHFFFAOYSA-N
XLogP0.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1H-pyridin-2-yl)piperazine
CID 18418877
2-(4-methylpiperazin-1-yl)-2,3,4,7-tetrahydro-1H-azepine
CID 19019654
1,2,3,4,6,7,10,10a-Octahydropyrimido[1,2-a]azepine
CID 20087682
N-[2-(3,6-Dihydropyridin-1(2H)-yl)ethyl]-N-methylamine
CID 23121981
1-Hex-2-enylpiperazine
CID 54035899
1-Pent-2-enylpiperazine
CID 54303757
N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
CID 56614411
1-[(2E)-hexa-2,5-dienyl]piperazine
CID 56989818
1-Hex-3-enylpiperazine
CID 57014890
(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten
CID 59885946
(E)-N-[1-[4-[1-[[(E)-6-aminohex-2-enyl]amino]propyl]piperazin-1-yl]propyl]hex-2-ene-1,6-diamine
CID 66779344
N,N-dimethyl-1-piperazin-1-ylprop-2-en-1-amine
CID 66955208

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine (CID 163952102) is 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine is CN1CC=CCC1N1CCNCC1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine?
The InChIKey is SAFJQXKFCZDHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12-7-3-2-4-10(12)13-8-5-11-6-9-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine?
1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine has a molecular weight of 181.28 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)piperazine is sourced from PubChem (CID 163952102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).