1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

C25H34N2O — CID 10714699

IUPAC1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
InChIKeyUOHLLQFAMONHJJ-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.71
Rot. Bonds7

About 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PubChem CID 10714699) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
PubChem CID10714699
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3
InChIKeyUOHLLQFAMONHJJ-UHFFFAOYSA-N
XLogP4.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (CID 10714699) is 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is COc1cccc2c1CCCC2CCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is UOHLLQFAMONHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3.
What are the key properties of 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 378.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 10714699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).