1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

C23H29N3O — CID 14978229

IUPAC1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1C(CCCN1CCN(c3ccccn3)CC1)=CCC2
InChIInChI=1S/C23H29N3O/c1-27-21-11-5-9-19-7-4-8-20(23(19)21)10-6-14-25-15-17-26(18-16-25)22-12-2-3-13-24-22/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3
InChIKeyLFPMDBSDZKZDIJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.02
Rot. Bonds6

About 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (PubChem CID 14978229) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
PubChem CID14978229
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1C(CCCN1CCN(c3ccccn3)CC1)=CCC2
InChIInChI=1S/C23H29N3O/c1-27-21-11-5-9-19-7-4-8-20(23(19)21)10-6-14-25-15-17-26(18-16-25)22-12-2-3-13-24-22/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3
InChIKeyLFPMDBSDZKZDIJ-UHFFFAOYSA-N
XLogP4.02
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (CID 14978229) is 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is COc1cccc2c1C(CCCN1CCN(c3ccccn3)CC1)=CCC2.
What is the InChIKey of 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is LFPMDBSDZKZDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-27-21-11-5-9-19-7-4-8-20(23(19)21)10-6-14-25-15-17-26(18-16-25)22-12-2-3-13-24-22/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3.
What are the key properties of 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 363.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 14978229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).