1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol

C19H33N2OSi+ — CID 123770807

IUPAC1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol
SMILESC[N+]1([SiH3])CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1
InChIKeyNPNXPJMTHYXCHW-UHFFFAOYSA-N
MW333.57 g/mol
LogP1.50
Rot. Bonds4

About 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol

1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol (PubChem CID 123770807) has the molecular formula C19H33N2OSi+ and a molecular weight of 333.57 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol
PubChem CID123770807
Molecular FormulaC19H33N2OSi+
Molecular Weight333.57 g/mol
Exact Mass333.24
IUPAC Name1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol
SMILESC[N+]1([SiH3])CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1
InChIKeyNPNXPJMTHYXCHW-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.57
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol iodide
CID 169441280
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
CID 88623213
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
(E)-1-cyclohexyl-1-phenyl-3-triethylsilylpent-3-en-1-ol
CID 135061732

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol?
The IUPAC name of 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol (CID 123770807) is 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol.
What is the SMILES notation for 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol?
The canonical SMILES for 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol is C[N+]1([SiH3])CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol?
The InChIKey is NPNXPJMTHYXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1.
What are the key properties of 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol?
1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol has a molecular weight of 333.57 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol is sourced from PubChem (CID 123770807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).