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

C26H42N2O — CID 11292472

IUPAC1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H42N2O/c1-29-26-16-9-14-24-22(11-8-15-25(24)26)10-4-3-7-17-27-18-20-28(21-19-27)23-12-5-2-6-13-23/h9,14,16,22-23H,2-8,10-13,15,17-21H2,1H3
InChIKeyYTACRVLZUUYUQX-UHFFFAOYSA-N
MW398.64 g/mol
LogP5.63
Rot. Bonds8

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

1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine (PubChem CID 11292472) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine
PubChem CID11292472
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC Name1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H42N2O/c1-29-26-16-9-14-24-22(11-8-15-25(24)26)10-4-3-7-17-27-18-20-28(21-19-27)23-12-5-2-6-13-23/h9,14,16,22-23H,2-8,10-13,15,17-21H2,1H3
InChIKeyYTACRVLZUUYUQX-UHFFFAOYSA-N
XLogP5.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.63
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

Dextromethorphan
CID 5360696
Levomethorphan
CID 5362449
(+-)-3-Methoxy-17-methylmorphinan
CID 3008
1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
3,3-Dimethyl-1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl)piperidine
CID 10245193
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
UH 232
CID 123696
1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 11152920
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 6604756
1-[2-(4-Fluorophenyl)-2-(4-isopropylhexahydro-1-pyrazinyl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]hexahydropyrazine
CID 10098971
3-(6-Methoxy-2-naphthalenyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 11550718
1-[5-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pentyl]-3,3-dimethyl-piperidine
CID 10523792

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine (CID 11292472) is 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine is COc1cccc2c1CCCC2CCCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine?
The InChIKey is YTACRVLZUUYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O/c1-29-26-16-9-14-24-22(11-8-15-25(24)26)10-4-3-7-17-27-18-20-28(21-19-27)23-12-5-2-6-13-23/h9,14,16,22-23H,2-8,10-13,15,17-21H2,1H3.
What are the key properties of 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine?
1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine has a molecular weight of 398.64 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]piperazine is sourced from PubChem (CID 11292472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).