1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine

C27H44N2O — CID 11281378

IUPAC1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H44N2O/c1-30-27-17-10-15-25-23(12-9-16-26(25)27)11-5-2-3-8-18-28-19-21-29(22-20-28)24-13-6-4-7-14-24/h10,15,17,23-24H,2-9,11-14,16,18-22H2,1H3
InChIKeyYWDVQCRTJZURGA-UHFFFAOYSA-N
MW412.66 g/mol
LogP6.02
Rot. Bonds9

About 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine

1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine (PubChem CID 11281378) has the molecular formula C27H44N2O and a molecular weight of 412.66 g/mol. Its IUPAC name is 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
PubChem CID11281378
Molecular FormulaC27H44N2O
Molecular Weight412.66 g/mol
Exact Mass412.35
IUPAC Name1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H44N2O/c1-30-27-17-10-15-25-23(12-9-16-26(25)27)11-5-2-3-8-18-28-19-21-29(22-20-28)24-13-6-4-7-14-24/h10,15,17,23-24H,2-9,11-14,16,18-22H2,1H3
InChIKeyYWDVQCRTJZURGA-UHFFFAOYSA-N
XLogP6.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 56.02
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine (CID 11281378) is 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine is COc1cccc2c1CCCC2CCCCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine?
The InChIKey is YWDVQCRTJZURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O/c1-30-27-17-10-15-25-23(12-9-16-26(25)27)11-5-2-3-8-18-28-19-21-29(22-20-28)24-13-6-4-7-14-24/h10,15,17,23-24H,2-9,11-14,16,18-22H2,1H3.
What are the key properties of 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine?
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine has a molecular weight of 412.66 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine is sourced from PubChem (CID 11281378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).