3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine

C12H19ClN4 — CID 114516461

IUPAC3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
SMILESCN1CCC(CCNc2nccnc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-17-8-3-10(4-9-17)2-5-15-12-11(13)14-6-7-16-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyYPBTUHCZMOLAAF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.27
Rot. Bonds4

About 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine

3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine (PubChem CID 114516461) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
PubChem CID114516461
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
SMILESCN1CCC(CCNc2nccnc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-17-8-3-10(4-9-17)2-5-15-12-11(13)14-6-7-16-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyYPBTUHCZMOLAAF-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine (CID 114516461) is 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine is CN1CCC(CCNc2nccnc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine?
The InChIKey is YPBTUHCZMOLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-17-8-3-10(4-9-17)2-5-15-12-11(13)14-6-7-16-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine?
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 114516461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).