1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

C24H30N2O — CID 10316605

IUPAC1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCC2=CCCc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-14-5-4-13-23(24)26-18-16-25(17-19-26)15-7-11-21-10-6-9-20-8-2-3-12-22(20)21/h2-5,8,10,12-14H,6-7,9,11,15-19H2,1H3
InChIKeyPIZXFQUYIGDMKJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.63
Rot. Bonds6

About 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10316605) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10316605
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCC2=CCCc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-14-5-4-13-23(24)26-18-16-25(17-19-26)15-7-11-21-10-6-9-20-8-2-3-12-22(20)21/h2-5,8,10,12-14H,6-7,9,11,15-19H2,1H3
InChIKeyPIZXFQUYIGDMKJ-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-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (CID 10316605) is 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCC2=CCCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is PIZXFQUYIGDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-27-24-14-5-4-13-23(24)26-18-16-25(17-19-26)15-7-11-21-10-6-9-20-8-2-3-12-22(20)21/h2-5,8,10,12-14H,6-7,9,11,15-19H2,1H3.
What are the key properties of 1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine 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-(3,4-dihydronaphthalen-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10316605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).