1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

C24H37N3O3 — CID 11654577

IUPAC1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1ccc([N+](=O)[O-])c2c1CCCC2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H37N3O3/c1-30-23-13-12-22(27(28)29)24-19(7-5-11-21(23)24)8-6-14-25-15-17-26(18-16-25)20-9-3-2-4-10-20/h12-13,19-20H,2-11,14-18H2,1H3
InChIKeyORZMIRWJXWWNPM-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.75
Rot. Bonds7

About 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PubChem CID 11654577) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
PubChem CID11654577
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1ccc([N+](=O)[O-])c2c1CCCC2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H37N3O3/c1-30-23-13-12-22(27(28)29)24-19(7-5-11-21(23)24)8-6-14-25-15-17-26(18-16-25)20-9-3-2-4-10-20/h12-13,19-20H,2-11,14-18H2,1H3
InChIKeyORZMIRWJXWWNPM-UHFFFAOYSA-N
XLogP4.75
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (CID 11654577) is 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is COc1ccc([N+](=O)[O-])c2c1CCCC2CCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is ORZMIRWJXWWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-30-23-13-12-22(27(28)29)24-19(7-5-11-21(23)24)8-6-14-25-15-17-26(18-16-25)20-9-3-2-4-10-20/h12-13,19-20H,2-11,14-18H2,1H3.
What are the key properties of 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 415.58 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 11654577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).