N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

C13H22N4 — CID 95817209

IUPACN-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCNc1nccnc1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4/c1-10(2)17-8-4-11(5-9-17)12-13(14-3)16-7-6-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyLNESSHFLWCOFPU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.11
Rot. Bonds3

About N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 95817209) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
PubChem CID95817209
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCNc1nccnc1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4/c1-10(2)17-8-4-11(5-9-17)12-13(14-3)16-7-6-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyLNESSHFLWCOFPU-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (CID 95817209) is N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is CNc1nccnc1C1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is LNESSHFLWCOFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)17-8-4-11(5-9-17)12-13(14-3)16-7-6-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 95817209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).