2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine

C15H23ClN4 — CID 66467109

IUPAC2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
SMILESClCc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C15H23ClN4/c16-9-14-10-17-11-15(18-14)20-7-3-13(4-8-20)12-19-5-1-2-6-19/h10-11,13H,1-9,12H2
InChIKeyYGLOBRRIHFVLCR-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.53
Rot. Bonds4

About 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine

2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine (PubChem CID 66467109) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
PubChem CID66467109
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
SMILESClCc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C15H23ClN4/c16-9-14-10-17-11-15(18-14)20-7-3-13(4-8-20)12-19-5-1-2-6-19/h10-11,13H,1-9,12H2
InChIKeyYGLOBRRIHFVLCR-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine (CID 66467109) is 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine is ClCc1cncc(N2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The InChIKey is YGLOBRRIHFVLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c16-9-14-10-17-11-15(18-14)20-7-3-13(4-8-20)12-19-5-1-2-6-19/h10-11,13H,1-9,12H2.
What are the key properties of 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine has a molecular weight of 294.83 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 66467109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).