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

C25H40N2O — CID 11199981

IUPAC1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H40N2O/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/h8,13,15,21-22H,2-7,9-12,14,16-20H2,1H3
InChIKeyXYLRIJUMSWFUTA-UHFFFAOYSA-N
MW384.61 g/mol
LogP5.24
Rot. Bonds7

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

1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine (PubChem CID 11199981) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine
PubChem CID11199981
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H40N2O/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/h8,13,15,21-22H,2-7,9-12,14,16-20H2,1H3
InChIKeyXYLRIJUMSWFUTA-UHFFFAOYSA-N
XLogP5.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 55.24
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-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine (CID 11199981) is 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine is COc1cccc2c1CCCC2CCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine?
The InChIKey is XYLRIJUMSWFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O/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/h8,13,15,21-22H,2-7,9-12,14,16-20H2,1H3.
What are the key properties of 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine?
1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine has a molecular weight of 384.61 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperazine is sourced from PubChem (CID 11199981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).