1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine

C16H20N4 — CID 5017511

IUPAC1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2ccccn2)N2CCNCC2)nc1
InChIInChI=1S/C16H20N4/c1-13-5-6-15(19-12-13)16(14-4-2-3-7-18-14)20-10-8-17-9-11-20/h2-7,12,16-17H,8-11H2,1H3
InChIKeyVVCGHXRKPMSVMV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.78
Rot. Bonds3

About 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine

1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine (PubChem CID 5017511) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
PubChem CID5017511
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2ccccn2)N2CCNCC2)nc1
InChIInChI=1S/C16H20N4/c1-13-5-6-15(19-12-13)16(14-4-2-3-7-18-14)20-10-8-17-9-11-20/h2-7,12,16-17H,8-11H2,1H3
InChIKeyVVCGHXRKPMSVMV-UHFFFAOYSA-N
XLogP1.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
1-[(5-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4586883
1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171287163
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3580292
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3567529
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine (CID 5017511) is 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine is Cc1ccc(C(c2ccccn2)N2CCNCC2)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine?
The InChIKey is VVCGHXRKPMSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-5-6-15(19-12-13)16(14-4-2-3-7-18-14)20-10-8-17-9-11-20/h2-7,12,16-17H,8-11H2,1H3.
What are the key properties of 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine?
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine has a molecular weight of 268.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine is sourced from PubChem (CID 5017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).