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

C16H19ClN4 — CID 75498823

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-13-3-2-4-16(19-13)21-9-7-20(8-10-21)12-15-6-5-14(17)11-18-15/h2-6,11H,7-10,12H2,1H3
InChIKeyPPNRGSYXCZWZEZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.76
Rot. Bonds3

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

1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine (PubChem CID 75498823) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
PubChem CID75498823
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-13-3-2-4-16(19-13)21-9-7-20(8-10-21)12-15-6-5-14(17)11-18-15/h2-6,11H,7-10,12H2,1H3
InChIKeyPPNRGSYXCZWZEZ-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465557
1-[(5-chloro-2-pyridinyl)methyl]-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133465658
5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
CID 133465592
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465575
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
CID 75450434
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
CID 77088933
1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 133313594
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine (CID 75498823) is 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine is Cc1cccc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine?
The InChIKey is PPNRGSYXCZWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-13-3-2-4-16(19-13)21-9-7-20(8-10-21)12-15-6-5-14(17)11-18-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine?
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine has a molecular weight of 302.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 75498823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).