1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine

C24H30N2O — CID 10021562

IUPAC1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC=C2CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
InChIKeyXOBUAHLUTFRWNA-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.63
Rot. Bonds6

About 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine

1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine (PubChem CID 10021562) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine
PubChem CID10021562
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC=C2CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3
InChIKeyXOBUAHLUTFRWNA-UHFFFAOYSA-N
XLogP4.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine (CID 10021562) is 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine is COc1cccc2c1CCC=C2CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The InChIKey is XOBUAHLUTFRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h2-4,6,8,10-12,14H,5,7,9,13,15-19H2,1H3.
What are the key properties of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine has a molecular weight of 362.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 10021562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).