1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine

C18H24N4O — CID 10267689

IUPAC1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine
SMILESCCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1
InChIInChI=1S/C18H24N4O/c1-2-10-21-11-13-22(14-12-21)17-4-3-5-18(20-17)23-15-16-6-8-19-9-7-16/h3-9H,2,10-15H2,1H3
InChIKeyGFQJQZAONAYQFY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.59
Rot. Bonds6

About 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine

1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine (PubChem CID 10267689) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine
PubChem CID10267689
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine
SMILESCCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1
InChIInChI=1S/C18H24N4O/c1-2-10-21-11-13-22(14-12-21)17-4-3-5-18(20-17)23-15-16-6-8-19-9-7-16/h3-9H,2,10-15H2,1H3
InChIKeyGFQJQZAONAYQFY-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrilamine
CID 4992
2,6-Diamino-2'-butyloxy-3,5'-azopyridine
CID 96213
Pyrilamine hydrochloride
CID 80139
U 101958
CID 5615
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
Orm-13070
CID 46209194
Piperazine, 1-(((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(3-(methoxy-11C-methyl)-2-pyridinyl)-
CID 46207731
[3H]pyrilamine
CID 656400
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,4-butanediamine
CID 19762580
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,2-ethanediamine
CID 19762590

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine (CID 10267689) is 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine is CCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1.
What is the InChIKey of 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine?
The InChIKey is GFQJQZAONAYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-10-21-11-13-22(14-12-21)17-4-3-5-18(20-17)23-15-16-6-8-19-9-7-16/h3-9H,2,10-15H2,1H3.
What are the key properties of 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine?
1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine has a molecular weight of 312.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 10267689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).