(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine

C13H21N3O2 — CID 103173642

IUPAC(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
SMILESCOc1ccnc(CN2CCN[C@H](C)C2)c1OC
InChIInChI=1S/C13H21N3O2/c1-10-8-16(7-6-14-10)9-11-13(18-3)12(17-2)4-5-15-11/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1
InChIKeyOIZGBZPURZTIBY-SNVBAGLBSA-N
MW251.33 g/mol
LogP0.89
Rot. Bonds4

About (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine

(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine (PubChem CID 103173642) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
PubChem CID103173642
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
SMILESCOc1ccnc(CN2CCN[C@H](C)C2)c1OC
InChIInChI=1S/C13H21N3O2/c1-10-8-16(7-6-14-10)9-11-13(18-3)12(17-2)4-5-15-11/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1
InChIKeyOIZGBZPURZTIBY-SNVBAGLBSA-N
XLogP0.89
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 97164844
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propyl-1,4-diazepane
CID 103174277
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
CID 115879777
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidine-4-carbothioamide
CID 103172874

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine (CID 103173642) is (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine is COc1ccnc(CN2CCN[C@H](C)C2)c1OC.
What is the InChIKey of (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine?
The InChIKey is OIZGBZPURZTIBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-16(7-6-14-10)9-11-13(18-3)12(17-2)4-5-15-11/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine?
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine has a molecular weight of 251.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 103173642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).