1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine

C24H30N2O — CID 10384067

IUPAC1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C2\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/h2-5,8,11-14H,6-7,9-10,15-19H2,1H3/b21-11+
InChIKeyNWZQVOAMBHTGNW-SRZZPIQSSA-N
MW362.52 g/mol
LogP4.63
Rot. Bonds5

About 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine

1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10384067) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10384067
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C2\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/h2-5,8,11-14H,6-7,9-10,15-19H2,1H3/b21-11+
InChIKeyNWZQVOAMBHTGNW-SRZZPIQSSA-N
XLogP4.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine (CID 10384067) is 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC/C=C2\CCCc3ccccc32)CC1.
What is the InChIKey of 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is NWZQVOAMBHTGNW-SRZZPIQSSA-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/h2-5,8,11-14H,6-7,9-10,15-19H2,1H3/b21-11+.
What are the key properties of 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 362.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).