1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine

C23H30N2O — CID 10617866

IUPAC1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1ccc2c(c1)CC(CCN1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C23H30N2O/c1-26-23-10-9-20-8-7-19(17-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,18-19H,7-8,11-17H2,1H3
InChIKeyVHTJFANFSJSTEZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine

1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (PubChem CID 10617866) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
PubChem CID10617866
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1ccc2c(c1)CC(CCN1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C23H30N2O/c1-26-23-10-9-20-8-7-19(17-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,18-19H,7-8,11-17H2,1H3
InChIKeyVHTJFANFSJSTEZ-UHFFFAOYSA-N
XLogP4.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (CID 10617866) is 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is COc1ccc2c(c1)CC(CCN1CCN(c3ccccc3)CC1)CC2.
What is the InChIKey of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The InChIKey is VHTJFANFSJSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-26-23-10-9-20-8-7-19(17-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,18-19H,7-8,11-17H2,1H3.
What are the key properties of 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 10617866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).