2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H22ClN3 — CID 79935118

IUPAC2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1cccc(CCl)n1
InChIInChI=1S/C15H22ClN3/c1-12-10-18-8-3-2-6-14(18)11-19(12)15-7-4-5-13(9-16)17-15/h4-5,7,12,14H,2-3,6,8-11H2,1H3
InChIKeyQVRARMUZKVVXGL-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.88
Rot. Bonds2

About 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79935118) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79935118
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1cccc(CCl)n1
InChIInChI=1S/C15H22ClN3/c1-12-10-18-8-3-2-6-14(18)11-19(12)15-7-4-5-13(9-16)17-15/h4-5,7,12,14H,2-3,6,8-11H2,1H3
InChIKeyQVRARMUZKVVXGL-UHFFFAOYSA-N
XLogP2.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
CID 79925045
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanamine
CID 79925494
2-[3-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935024
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
CID 79935691
N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 115498530
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
2-[2-chloro-4-(chloromethyl)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 81152383
2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine
CID 62255365
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79935118) is 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1c1cccc(CCl)n1.
What is the InChIKey of 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is QVRARMUZKVVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-12-10-18-8-3-2-6-14(18)11-19(12)15-7-4-5-13(9-16)17-15/h4-5,7,12,14H,2-3,6,8-11H2,1H3.
What are the key properties of 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 279.81 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79935118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).