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

C24H32N2O — CID 10406491

IUPAC1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine
SMILESCOc1ccc2c(c1)C(CCCN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C24H32N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h2-4,10-13,19-20H,5-9,14-18H2,1H3
InChIKeyVEQQYRMROCWKNF-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.72
Rot. Bonds6

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

1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine (PubChem CID 10406491) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine
PubChem CID10406491
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine
SMILESCOc1ccc2c(c1)C(CCCN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C24H32N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h2-4,10-13,19-20H,5-9,14-18H2,1H3
InChIKeyVEQQYRMROCWKNF-UHFFFAOYSA-N
XLogP4.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine (CID 10406491) is 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine is COc1ccc2c(c1)C(CCCN1CCN(c3ccccc3)CC1)CCC2.
What is the InChIKey of 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
The InChIKey is VEQQYRMROCWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-27-23-13-12-21-8-5-7-20(24(21)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h2-4,10-13,19-20H,5-9,14-18H2,1H3.
What are the key properties of 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine?
1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine has a molecular weight of 364.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 10406491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).