1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine

C22H29N3O — CID 10948133

IUPAC1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
InChIKeyMQYILSGYILZXMS-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine

1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 10948133) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine
PubChem CID10948133
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
InChIKeyMQYILSGYILZXMS-UHFFFAOYSA-N
XLogP3.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine (CID 10948133) is 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine is COc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)CC2.
What is the InChIKey of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MQYILSGYILZXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3.
What are the key properties of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 351.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10948133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).