1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol

C20H36N2O2Si — CID 171484955

IUPAC1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H36N2O2Si/c1-20(2,3)25(4,5)24-17-19(23)16-22-13-11-21(12-14-22)15-18-9-7-6-8-10-18/h6-10,19,23H,11-17H2,1-5H3
InChIKeyQRXXKLSIAFDNIW-UHFFFAOYSA-N
MW364.61 g/mol
LogP3.19
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol

1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol (PubChem CID 171484955) has the molecular formula C20H36N2O2Si and a molecular weight of 364.61 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
PubChem CID171484955
Molecular FormulaC20H36N2O2Si
Molecular Weight364.61 g/mol
Exact Mass364.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H36N2O2Si/c1-20(2,3)25(4,5)24-17-19(23)16-22-13-11-21(12-14-22)15-18-9-7-6-8-10-18/h6-10,19,23H,11-17H2,1-5H3
InChIKeyQRXXKLSIAFDNIW-UHFFFAOYSA-N
XLogP3.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-(4-benzylpiperazin-1-yl)-3-[4-[2-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]propan-2-ol
CID 4187801
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(2S)-1-(4-benzylpiperazin-1-yl)-3-prop-2-ynoxypropan-2-ol
CID 29124487
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol (CID 171484955) is 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol is CC(C)(C)[Si](C)(C)OCC(O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol?
The InChIKey is QRXXKLSIAFDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2Si/c1-20(2,3)25(4,5)24-17-19(23)16-22-13-11-21(12-14-22)15-18-9-7-6-8-10-18/h6-10,19,23H,11-17H2,1-5H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol has a molecular weight of 364.61 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol is sourced from PubChem (CID 171484955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).