4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

C25H40FNOSi — CID 131729990

IUPAC4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(c2cccc(F)c2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C25H40FNOSi/c1-6-29(7-2,8-3)20-11-9-10-15-24(28)16-18-25(19-17-24,27(4)5)22-13-12-14-23(26)21-22/h12-14,21,28H,6-10,15-19H2,1-5H3
InChIKeyMFTKSUGCHSGQJK-UHFFFAOYSA-N
MW417.69 g/mol
LogP6.11
Rot. Bonds8

About 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (PubChem CID 131729990) has the molecular formula C25H40FNOSi and a molecular weight of 417.69 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
PubChem CID131729990
Molecular FormulaC25H40FNOSi
Molecular Weight417.69 g/mol
Exact Mass417.29
IUPAC Name4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(c2cccc(F)c2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C25H40FNOSi/c1-6-29(7-2,8-3)20-11-9-10-15-24(28)16-18-25(19-17-24,27(4)5)22-13-12-14-23(26)21-22/h12-14,21,28H,6-10,15-19H2,1-5H3
InChIKeyMFTKSUGCHSGQJK-UHFFFAOYSA-N
XLogP6.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.69
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10109139
4-(Dimethylamino)-1-methyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711968
4-(Dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711972
4-(Dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
CID 12711970
Cyclohexanol, 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)-
CID 10109140
4-(Dimethylamino)-4-phenyl-1-(prop-1-ynyl)cyclohexanol
CID 57475158
[4-Methoxy-4-(3-methoxy-prop-1-ynyl)-1-phenyl-cyclohexyl]-dimethylamine
CID 86634678
4-Dimethylamino-4-phenyl-1-(5-triethylsilanyl-pent-4-inyl)cyclohexanol
CID 131729989
(R)-4-dimethylamino-1-(2-methyl-5-(triethylsilyl)pent-4-inyl)-4-phenylcyclohexanol
CID 131729994
4-(Dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol
CID 140539932
4-Benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
CID 140539933
4-(Azetidin-1-yl)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
CID 141252798

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (CID 131729990) is 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is CC[Si](C#CCCCC1(O)CCC(c2cccc(F)c2)(N(C)C)CC1)(CC)CC.
What is the InChIKey of 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The InChIKey is MFTKSUGCHSGQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FNOSi/c1-6-29(7-2,8-3)20-11-9-10-15-24(28)16-18-25(19-17-24,27(4)5)22-13-12-14-23(26)21-22/h12-14,21,28H,6-10,15-19H2,1-5H3.
What are the key properties of 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol has a molecular weight of 417.69 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(3-fluorophenyl)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 131729990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).