3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane

C15H22ClN3 — CID 66466419

IUPAC3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
SMILESClCc1cncc(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C15H22ClN3/c16-10-13-11-17-12-14(18-13)19-8-6-15(7-9-19)4-2-1-3-5-15/h11-12H,1-10H2
InChIKeyHJAZNMBXKDJSOX-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.77
Rot. Bonds2

About 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane

3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane (PubChem CID 66466419) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
PubChem CID66466419
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
SMILESClCc1cncc(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C15H22ClN3/c16-10-13-11-17-12-14(18-13)19-8-6-15(7-9-19)4-2-1-3-5-15/h11-12H,1-10H2
InChIKeyHJAZNMBXKDJSOX-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 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 ≤ 53.77
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

8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 66467792
N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451089
4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
CID 66465504
2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66467101
2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 66467109
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
(6-piperidin-1-ylpyrazin-2-yl)methanol
CID 66468187
4-[6-(chloromethyl)pyrazin-2-yl]-2-ethylmorpholine
CID 66467328
[6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridinyl]methanamine
CID 55158910
2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
CID 83062274
5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 66466630
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379977

Frequently Asked Questions

What is the IUPAC name of 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane?
The IUPAC name of 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane (CID 66466419) is 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane is ClCc1cncc(N2CCC3(CCCCC3)CC2)n1.
What is the InChIKey of 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane?
The InChIKey is HJAZNMBXKDJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-10-13-11-17-12-14(18-13)19-8-6-15(7-9-19)4-2-1-3-5-15/h11-12H,1-10H2.
What are the key properties of 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane?
3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane has a molecular weight of 279.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 66466419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).