2-(5-chloro-2-methylpiperidin-1-yl)pyrazine

C10H14ClN3 — CID 130855779

IUPAC2-(5-chloro-2-methylpiperidin-1-yl)pyrazine
SMILESCC1CCC(Cl)CN1c1cnccn1
InChIInChI=1S/C10H14ClN3/c1-8-2-3-9(11)7-14(8)10-6-12-4-5-13-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyVTXGCXLEMNULPZ-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.07
Rot. Bonds1

About 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine

2-(5-chloro-2-methylpiperidin-1-yl)pyrazine (PubChem CID 130855779) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(5-chloro-2-methylpiperidin-1-yl)pyrazine
PubChem CID130855779
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-(5-chloro-2-methylpiperidin-1-yl)pyrazine
SMILESCC1CCC(Cl)CN1c1cnccn1
InChIInChI=1S/C10H14ClN3/c1-8-2-3-9(11)7-14(8)10-6-12-4-5-13-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyVTXGCXLEMNULPZ-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine (CID 130855779) is 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine is CC1CCC(Cl)CN1c1cnccn1.
What is the InChIKey of 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine?
The InChIKey is VTXGCXLEMNULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-2-3-9(11)7-14(8)10-6-12-4-5-13-10/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine?
2-(5-chloro-2-methylpiperidin-1-yl)pyrazine has a molecular weight of 211.70 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 130855779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).