1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

C23H27N3O — CID 11046644

IUPAC1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12
InChIInChI=1S/C23H27N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-5,7,9-13H,6,8,14-18H2,1H3
InChIKeyXTICRBGKPDRHCR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (PubChem CID 11046644) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
PubChem CID11046644
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12
InChIInChI=1S/C23H27N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-5,7,9-13H,6,8,14-18H2,1H3
InChIKeyXTICRBGKPDRHCR-UHFFFAOYSA-N
XLogP4.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (CID 11046644) is 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12.
What is the InChIKey of 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is XTICRBGKPDRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-5,7,9-13H,6,8,14-18H2,1H3.
What are the key properties of 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 361.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxynaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 11046644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).