1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine

C25H34N2O — CID 10691080

IUPAC1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCCC2CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-28-25-15-8-13-23-21(10-7-14-24(23)25)9-5-6-16-26-17-19-27(20-18-26)22-11-3-2-4-12-22/h2-4,8,11-13,15,21H,5-7,9-10,14,16-20H2,1H3
InChIKeyBSTCJDNGLCVFKZ-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.11
Rot. Bonds7

About 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine

1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine (PubChem CID 10691080) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine
PubChem CID10691080
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCCC2CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-28-25-15-8-13-23-21(10-7-14-24(23)25)9-5-6-16-26-17-19-27(20-18-26)22-11-3-2-4-12-22/h2-4,8,11-13,15,21H,5-7,9-10,14,16-20H2,1H3
InChIKeyBSTCJDNGLCVFKZ-UHFFFAOYSA-N
XLogP5.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 11152920
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
4-Benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperidine
CID 10595772
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-Cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pentyl]-piperazine
CID 11292472
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine?
The IUPAC name of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine (CID 10691080) is 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine is COc1cccc2c1CCCC2CCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine?
The InChIKey is BSTCJDNGLCVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-28-25-15-8-13-23-21(10-7-14-24(23)25)9-5-6-16-26-17-19-27(20-18-26)22-11-3-2-4-12-22/h2-4,8,11-13,15,21H,5-7,9-10,14,16-20H2,1H3.
What are the key properties of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine?
1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine has a molecular weight of 378.56 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-phenylpiperazine is sourced from PubChem (CID 10691080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).