4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine

C38H63NO — CID 134486545

IUPAC4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine
SMILESC=CCCc1ccc(C2CCC(C3CCC(C4CC(C)(C)N(OCCCCCCC)C(C)(C)C4)CC3)CC2)cc1
InChIInChI=1S/C38H63NO/c1-7-9-11-12-13-27-40-39-37(3,4)28-36(29-38(39,5)6)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)14-10-8-2/h8,15-18,32-36H,2,7,9-14,19-29H2,1,3-6H3
InChIKeyOFEDTKJIKQAVPB-UHFFFAOYSA-N
MW549.93 g/mol
LogP11.06
Rot. Bonds13

About 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine

4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134486545) has the molecular formula C38H63NO and a molecular weight of 549.93 g/mol. Its IUPAC name is 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine
PubChem CID134486545
Molecular FormulaC38H63NO
Molecular Weight549.93 g/mol
Exact Mass549.49
IUPAC Name4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine
SMILESC=CCCc1ccc(C2CCC(C3CCC(C4CC(C)(C)N(OCCCCCCC)C(C)(C)C4)CC3)CC2)cc1
InChIInChI=1S/C38H63NO/c1-7-9-11-12-13-27-40-39-37(3,4)28-36(29-38(39,5)6)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)14-10-8-2/h8,15-18,32-36H,2,7,9-14,19-29H2,1,3-6H3
InChIKeyOFEDTKJIKQAVPB-UHFFFAOYSA-N
XLogP11.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.93
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine with MolForge

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Related Compounds

2-(4-but-3-enylphenyl)-6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837107
2-(4-but-3-enylphenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837290
1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486441
4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
CID 134486536
2-(4-but-3-enylphenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864925
(2R,4aR,8aR)-2-[4-(4-but-3-enylphenyl)phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809434
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
2-(4-but-3-enylphenyl)-6-[2-(4-butylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837254
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
CID 130352058
1-ethenoxy-2,2,6,6-tetramethyl-4-[4-[4-[(3E)-octa-3,7-dienyl]phenyl]phenyl]piperidine
CID 134486617

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine (CID 134486545) is 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine is C=CCCc1ccc(C2CCC(C3CCC(C4CC(C)(C)N(OCCCCCCC)C(C)(C)C4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is OFEDTKJIKQAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H63NO/c1-7-9-11-12-13-27-40-39-37(3,4)28-36(29-38(39,5)6)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)14-10-8-2/h8,15-18,32-36H,2,7,9-14,19-29H2,1,3-6H3.
What are the key properties of 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine?
4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 549.93 g/mol, XLogP of 11.06, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).