1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine

C16H20N4O — CID 115982424

IUPAC1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
SMILESCc1cccnc1COc1cncc(N2CCNCC2)c1
InChIInChI=1S/C16H20N4O/c1-13-3-2-4-19-16(13)12-21-15-9-14(10-18-11-15)20-7-5-17-6-8-20/h2-4,9-11,17H,5-8,12H2,1H3
InChIKeyXVJKSJWULMIDFJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.77
Rot. Bonds4

About 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine

1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine (PubChem CID 115982424) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
PubChem CID115982424
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
SMILESCc1cccnc1COc1cncc(N2CCNCC2)c1
InChIInChI=1S/C16H20N4O/c1-13-3-2-4-19-16(13)12-21-15-9-14(10-18-11-15)20-7-5-17-6-8-20/h2-4,9-11,17H,5-8,12H2,1H3
InChIKeyXVJKSJWULMIDFJ-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine
CID 103036447
1-[2-[(3-chlorophenoxy)methyl]-3-pyridinyl]piperazine
CID 72549708
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-(5-butoxy-3-pyridinyl)-1,5-diazocane
CID 11494630
1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 83137838
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]-1,4-diazepane
CID 103036448
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
3-piperazin-1-yl-1,5-naphthyridine
CID 174919144
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine?
The IUPAC name of 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine (CID 115982424) is 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine?
The canonical SMILES for 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine is Cc1cccnc1COc1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine?
The InChIKey is XVJKSJWULMIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-3-2-4-19-16(13)12-21-15-9-14(10-18-11-15)20-7-5-17-6-8-20/h2-4,9-11,17H,5-8,12H2,1H3.
What are the key properties of 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine?
1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine has a molecular weight of 284.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine is sourced from PubChem (CID 115982424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).