2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine

C18H24N4O — CID 56986560

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
SMILESCOc1ccccc1N1CCN(CC(N)c2ccccn2)CC1
InChIInChI=1S/C18H24N4O/c1-23-18-8-3-2-7-17(18)22-12-10-21(11-13-22)14-15(19)16-6-4-5-9-20-16/h2-9,15H,10-14,19H2,1H3
InChIKeyIJOIHQPPLZESNI-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine (PubChem CID 56986560) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
PubChem CID56986560
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
SMILESCOc1ccccc1N1CCN(CC(N)c2ccccn2)CC1
InChIInChI=1S/C18H24N4O/c1-23-18-8-3-2-7-17(18)22-12-10-21(11-13-22)14-15(19)16-6-4-5-9-20-16/h2-9,15H,10-14,19H2,1H3
InChIKeyIJOIHQPPLZESNI-UHFFFAOYSA-N
XLogP1.91
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
CID 15016113
1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine
CID 91151355
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)ethanamine
CID 57155336
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine (CID 56986560) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine is COc1ccccc1N1CCN(CC(N)c2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine?
The InChIKey is IJOIHQPPLZESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-18-8-3-2-7-17(18)22-12-10-21(11-13-22)14-15(19)16-6-4-5-9-20-16/h2-9,15H,10-14,19H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine has a molecular weight of 312.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 56986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).