[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride

C18H32Cl2N2OSi — CID 171279042

IUPAC[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@H](CC2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2OSi.2ClH/c1-22(2,3)21-17-8-6-16(7-9-17)18(14-15-4-5-15)20-12-10-19-11-13-20;;/h6-9,15,18-19H,4-5,10-14H2,1-3H3;2*1H/t18-;;/m0../s1
InChIKeyIJJMCYUREYEGSB-NTEVMMBTSA-N
MW391.46 g/mol
LogP4.49
Rot. Bonds6

About [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride

[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride (PubChem CID 171279042) has the molecular formula C18H32Cl2N2OSi and a molecular weight of 391.46 g/mol. Its IUPAC name is [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride.

Molecular Properties

Compound Name[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
PubChem CID171279042
Molecular FormulaC18H32Cl2N2OSi
Molecular Weight391.46 g/mol
Exact Mass390.17
IUPAC Name[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@H](CC2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2OSi.2ClH/c1-22(2,3)21-17-8-6-16(7-9-17)18(14-15-4-5-15)20-12-10-19-11-13-20;;/h6-9,15,18-19H,4-5,10-14H2,1-3H3;2*1H/t18-;;/m0../s1
InChIKeyIJJMCYUREYEGSB-NTEVMMBTSA-N
XLogP4.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The IUPAC name of [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride (CID 171279042) is [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride.
What is the SMILES notation for [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The canonical SMILES for [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride is C[Si](C)(C)Oc1ccc([C@H](CC2CC2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The InChIKey is IJJMCYUREYEGSB-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H30N2OSi.2ClH/c1-22(2,3)21-17-8-6-16(7-9-17)18(14-15-4-5-15)20-12-10-19-11-13-20;;/h6-9,15,18-19H,4-5,10-14H2,1-3H3;2*1H/t18-;;/m0../s1.
What are the key properties of [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride has a molecular weight of 391.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride is sourced from PubChem (CID 171279042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).