4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine

C21H35NO2 — CID 70997275

IUPAC4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine
SMILESC1=CC(OC2CCNCC2)CC=C1OCCCCC1CCCCC1
InChIInChI=1S/C21H35NO2/c1-2-6-18(7-3-1)8-4-5-17-23-19-9-11-20(12-10-19)24-21-13-15-22-16-14-21/h9-11,18,20-22H,1-8,12-17H2
InChIKeyGAVBZGKZCNNKQR-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.73
Rot. Bonds8

About 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine

4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine (PubChem CID 70997275) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine.

Molecular Properties

Compound Name4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine
PubChem CID70997275
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine
SMILESC1=CC(OC2CCNCC2)CC=C1OCCCCC1CCCCC1
InChIInChI=1S/C21H35NO2/c1-2-6-18(7-3-1)8-4-5-17-23-19-9-11-20(12-10-19)24-21-13-15-22-16-14-21/h9-11,18,20-22H,1-8,12-17H2
InChIKeyGAVBZGKZCNNKQR-UHFFFAOYSA-N
XLogP4.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
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 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The IUPAC name of 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine (CID 70997275) is 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine.
What is the SMILES notation for 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The canonical SMILES for 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine is C1=CC(OC2CCNCC2)CC=C1OCCCCC1CCCCC1.
What is the InChIKey of 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The InChIKey is GAVBZGKZCNNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-6-18(7-3-1)8-4-5-17-23-19-9-11-20(12-10-19)24-21-13-15-22-16-14-21/h9-11,18,20-22H,1-8,12-17H2.
What are the key properties of 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine?
4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine has a molecular weight of 333.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclohexylbutoxy)cyclohexa-2,4-dien-1-yl]oxypiperidine is sourced from PubChem (CID 70997275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).