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

C12H19N3O — CID 104975727

IUPAC(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
SMILESCOc1cccc(CN2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-10-8-15(7-6-13-10)9-11-4-3-5-12(14-11)16-2/h3-5,10,13H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyQALCFCJORSDXJO-SNVBAGLBSA-N
MW221.30 g/mol
LogP0.88
Rot. Bonds3

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

(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine (PubChem CID 104975727) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
PubChem CID104975727
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
SMILESCOc1cccc(CN2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-10-8-15(7-6-13-10)9-11-4-3-5-12(14-11)16-2/h3-5,10,13H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyQALCFCJORSDXJO-SNVBAGLBSA-N
XLogP0.88
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870564
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine (CID 104975727) is (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine is COc1cccc(CN2CCN[C@H](C)C2)n1.
What is the InChIKey of (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The InChIKey is QALCFCJORSDXJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-15(7-6-13-10)9-11-4-3-5-12(14-11)16-2/h3-5,10,13H,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine?
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine has a molecular weight of 221.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).