1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine

C34H48FNO — CID 134486531

IUPAC1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESC=CCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OCCC)CC4)cc3)cc2F)CC1(C)C
InChIInChI=1S/C34H48FNO/c1-7-9-20-36-33(3,4)23-29(24-34(36,5)6)31-19-16-28(22-32(31)35)27-12-10-25(11-13-27)26-14-17-30(18-15-26)37-21-8-2/h7,10-13,16,19,22,26,29-30H,1,8-9,14-15,17-18,20-21,23-24H2,2-6H3
InChIKeyOVMKTSPOAHRURS-UHFFFAOYSA-N
MW505.76 g/mol
LogP9.26
Rot. Bonds9

About 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine

1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 134486531) has the molecular formula C34H48FNO and a molecular weight of 505.76 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID134486531
Molecular FormulaC34H48FNO
Molecular Weight505.76 g/mol
Exact Mass505.37
IUPAC Name1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESC=CCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OCCC)CC4)cc3)cc2F)CC1(C)C
InChIInChI=1S/C34H48FNO/c1-7-9-20-36-33(3,4)23-29(24-34(36,5)6)31-19-16-28(22-32(31)35)27-12-10-25(11-13-27)26-14-17-30(18-15-26)37-21-8-2/h7,10-13,16,19,22,26,29-30H,1,8-9,14-15,17-18,20-21,23-24H2,2-6H3
InChIKeyOVMKTSPOAHRURS-UHFFFAOYSA-N
XLogP9.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.76
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine (CID 134486531) is 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine is C=CCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OCCC)CC4)cc3)cc2F)CC1(C)C.
What is the InChIKey of 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is OVMKTSPOAHRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48FNO/c1-7-9-20-36-33(3,4)23-29(24-34(36,5)6)31-19-16-28(22-32(31)35)27-12-10-25(11-13-27)26-14-17-30(18-15-26)37-21-8-2/h7,10-13,16,19,22,26,29-30H,1,8-9,14-15,17-18,20-21,23-24H2,2-6H3.
What are the key properties of 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine?
1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 505.76 g/mol, XLogP of 9.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[2-fluoro-4-[4-(4-propoxycyclohexyl)phenyl]phenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).