(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

C12H19N3 — CID 104975601

IUPAC(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H19N3/c1-10-4-3-5-12(14-10)9-15-7-6-13-11(2)8-15/h3-5,11,13H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyKWRQGHCIJVUNAN-LLVKDONJSA-N
MW205.31 g/mol
LogP1.18
Rot. Bonds2

About (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 104975601) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID104975601
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H19N3/c1-10-4-3-5-12(14-10)9-15-7-6-13-11(2)8-15/h3-5,11,13H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyKWRQGHCIJVUNAN-LLVKDONJSA-N
XLogP1.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64953364
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 104975601) is (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is Cc1cccc(CN2CCN[C@H](C)C2)n1.
What is the InChIKey of (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is KWRQGHCIJVUNAN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-3-5-12(14-10)9-15-7-6-13-11(2)8-15/h3-5,11,13H,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 104975601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).