1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol

C24H34FNO — CID 126490523

IUPAC1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol
SMILESC=C(O)C1(C(=C)N2CCC(CCc3ccc(F)cc3C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H34FNO/c1-17(24(12-13-24)18(2)27)26-14-10-19(11-15-26)6-7-20-8-9-21(25)16-22(20)23(3,4)5/h8-9,16,19,27H,1-2,6-7,10-15H2,3-5H3
InChIKeyYYBJHJQZXAEWEF-UHFFFAOYSA-N
MW371.54 g/mol
LogP6.13
Rot. Bonds6

About 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol

1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol (PubChem CID 126490523) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol.

Molecular Properties

Compound Name1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol
PubChem CID126490523
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol
SMILESC=C(O)C1(C(=C)N2CCC(CCc3ccc(F)cc3C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H34FNO/c1-17(24(12-13-24)18(2)27)26-14-10-19(11-15-26)6-7-20-8-9-21(25)16-22(20)23(3,4)5/h8-9,16,19,27H,1-2,6-7,10-15H2,3-5H3
InChIKeyYYBJHJQZXAEWEF-UHFFFAOYSA-N
XLogP6.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-tert-butyl-4-fluorophenyl)ethyl]-1-(3-methoxybuta-1,3-dien-2-yl)pyrrolidine
CID 126490336
2-[4-[(2-tert-butyl-4-fluorophenyl)methyl]piperidin-1-yl]-N'-methanimidoylprop-2-enimidamide
CID 126490430
3-[2-(2-tert-butyl-4-chlorophenyl)ethyl]-1-(4-methylidenehept-1-en-2-yl)pyrrolidine
CID 126490539
[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 138045968
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 154803243
3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-(4-methylidenehept-1-en-2-yl)pyrrolidine
CID 126490745
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
3-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-3-oxopropanoic acid
CID 59577276
tert-butyl 4-[(2,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 163385640
methyl 4-[4-[(2-tert-butyl-4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutanoate
CID 59577152
1-[3-[(2-tert-butyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2-hydroxy-2-methoxyethanone
CID 126490335
5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 154740147

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol?
The IUPAC name of 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol (CID 126490523) is 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol.
What is the SMILES notation for 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol?
The canonical SMILES for 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol is C=C(O)C1(C(=C)N2CCC(CCc3ccc(F)cc3C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol?
The InChIKey is YYBJHJQZXAEWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-17(24(12-13-24)18(2)27)26-14-10-19(11-15-26)6-7-20-8-9-21(25)16-22(20)23(3,4)5/h8-9,16,19,27H,1-2,6-7,10-15H2,3-5H3.
What are the key properties of 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol?
1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol has a molecular weight of 371.54 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[4-[2-(2-tert-butyl-4-fluorophenyl)ethyl]piperidin-1-yl]ethenyl]cyclopropyl]ethenol is sourced from PubChem (CID 126490523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).