4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine

C34H55NO2 — CID 134486536

IUPAC4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
SMILESC/C=C/ON1C(C)(C)CC(C2CCC(C3CCC(c4ccc(OCCCC)cc4)CC3)CC2)CC1(C)C
InChIInChI=1S/C34H55NO2/c1-7-9-23-36-32-20-18-29(19-21-32)28-12-10-26(11-13-28)27-14-16-30(17-15-27)31-24-33(3,4)35(37-22-8-2)34(5,6)25-31/h8,18-22,26-28,30-31H,7,9-17,23-25H2,1-6H3/b22-8+
InChIKeyGVOBMLWXUOFWAH-GZIVZEMBSA-N
MW509.82 g/mol
LogP9.68
Rot. Bonds9

About 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine

4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine (PubChem CID 134486536) has the molecular formula C34H55NO2 and a molecular weight of 509.82 g/mol. Its IUPAC name is 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine.

Molecular Properties

Compound Name4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
PubChem CID134486536
Molecular FormulaC34H55NO2
Molecular Weight509.82 g/mol
Exact Mass509.42
IUPAC Name4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
SMILESC/C=C/ON1C(C)(C)CC(C2CCC(C3CCC(c4ccc(OCCCC)cc4)CC3)CC2)CC1(C)C
InChIInChI=1S/C34H55NO2/c1-7-9-23-36-32-20-18-29(19-21-32)28-12-10-26(11-13-28)27-14-16-30(17-15-27)31-24-33(3,4)35(37-22-8-2)34(5,6)25-31/h8,18-22,26-28,30-31H,7,9-17,23-25H2,1-6H3/b22-8+
InChIKeyGVOBMLWXUOFWAH-GZIVZEMBSA-N
XLogP9.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine
CID 134486545
1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
CID 67859212
[4-[4-(4-butoxyphenyl)cyclohexyl]-1-methylcyclohexyl] ethyl carbonate
CID 70488625
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986
1-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-4-propoxybenzene
CID 18656241
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-butoxy-4-[4-[4-(difluoromethyl)cyclohexyl]phenyl]benzene
CID 19436543
2-(4-butoxyphenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837099
1-cyclohexyl-4-heptoxybenzene
CID 56628106

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine?
The IUPAC name of 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine (CID 134486536) is 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine.
What is the SMILES notation for 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine?
The canonical SMILES for 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine is C/C=C/ON1C(C)(C)CC(C2CCC(C3CCC(c4ccc(OCCCC)cc4)CC3)CC2)CC1(C)C.
What is the InChIKey of 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine?
The InChIKey is GVOBMLWXUOFWAH-GZIVZEMBSA-N. The full InChI is InChI=1S/C34H55NO2/c1-7-9-23-36-32-20-18-29(19-21-32)28-12-10-26(11-13-28)27-14-16-30(17-15-27)31-24-33(3,4)35(37-22-8-2)34(5,6)25-31/h8,18-22,26-28,30-31H,7,9-17,23-25H2,1-6H3/b22-8+.
What are the key properties of 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine?
4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine has a molecular weight of 509.82 g/mol, XLogP of 9.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine is sourced from PubChem (CID 134486536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).