1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine

C17H21N3O — CID 2057097

IUPAC1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H21N3O/c1-21-17-7-3-2-6-16(17)20-11-9-19(10-12-20)14-15-5-4-8-18-13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyNIOCEAQPJHBDGN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine

1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 2057097) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID2057097
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H21N3O/c1-21-17-7-3-2-6-16(17)20-11-9-19(10-12-20)14-15-5-4-8-18-13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyNIOCEAQPJHBDGN-UHFFFAOYSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine (CID 2057097) is 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine is COc1ccccc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is NIOCEAQPJHBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-7-3-2-6-16(17)20-11-9-19(10-12-20)14-15-5-4-8-18-13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 2057097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).