1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine

C16H19ClN4O — CID 75450434

IUPAC1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
SMILESCOCc1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H19ClN4O/c1-22-12-14-3-2-4-16(19-14)21-9-7-20(8-10-21)15-6-5-13(17)11-18-15/h2-6,11H,7-10,12H2,1H3
InChIKeyVJFBRQWVUPTZGP-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine (PubChem CID 75450434) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
PubChem CID75450434
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
SMILESCOCc1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H19ClN4O/c1-22-12-14-3-2-4-16(19-14)21-9-7-20(8-10-21)15-6-5-13(17)11-18-15/h2-6,11H,7-10,12H2,1H3
InChIKeyVJFBRQWVUPTZGP-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine with MolForge

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Related Compounds

6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70708295
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
5-chloro-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 172881511
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine (CID 75450434) is 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine is COCc1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine?
The InChIKey is VJFBRQWVUPTZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-22-12-14-3-2-4-16(19-14)21-9-7-20(8-10-21)15-6-5-13(17)11-18-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine has a molecular weight of 318.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 75450434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).