3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine

C14H20N4 — CID 58525285

IUPAC3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(C)c(C[C@@H]3CCCCN3)nc12
InChIInChI=1S/C14H20N4/c1-10-14-17-13(9-12-5-3-4-6-16-12)11(2)18(14)8-7-15-10/h7-8,12,16H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyDCNYOMCPZFKXGD-LBPRGKRZSA-N
MW244.34 g/mol
LogP2.03
Rot. Bonds2

About 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine

3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine (PubChem CID 58525285) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
PubChem CID58525285
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(C)c(C[C@@H]3CCCCN3)nc12
InChIInChI=1S/C14H20N4/c1-10-14-17-13(9-12-5-3-4-6-16-12)11(2)18(14)8-7-15-10/h7-8,12,16H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyDCNYOMCPZFKXGD-LBPRGKRZSA-N
XLogP2.03
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine (CID 58525285) is 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine is Cc1nccn2c(C)c(C[C@@H]3CCCCN3)nc12.
What is the InChIKey of 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine?
The InChIKey is DCNYOMCPZFKXGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-14-17-13(9-12-5-3-4-6-16-12)11(2)18(14)8-7-15-10/h7-8,12,16H,3-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine?
3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine has a molecular weight of 244.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 58525285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).