1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine

C23H29N3O — CID 10248163

IUPAC1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H29N3O/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/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
InChIKeyMEJDASWPPCVZOR-UFWORHAWSA-N
MW363.50 g/mol
LogP4.02
Rot. Bonds5

About 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine

1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine (PubChem CID 10248163) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine
PubChem CID10248163
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H29N3O/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/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
InChIKeyMEJDASWPPCVZOR-UFWORHAWSA-N
XLogP4.02
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine (CID 10248163) is 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine is COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MEJDASWPPCVZOR-UFWORHAWSA-N. The full InChI is InChI=1S/C23H29N3O/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/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+.
What are the key properties of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine?
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 363.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).