4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane

C22H40N2OSi — CID 71625082

IUPAC4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C22H40N2OSi/c1-19-17-24(18-20-12-8-7-9-13-20)21(16-23-19)14-10-11-15-25-26(5,6)22(2,3)4/h7-9,12-13,19,21,23H,10-11,14-18H2,1-6H3/t19-,21-/m1/s1
InChIKeyRHCSBPWMBOFIJC-TZIWHRDSSA-N
MW376.66 g/mol
LogP5.04
Rot. Bonds8

About 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane

4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane (PubChem CID 71625082) has the molecular formula C22H40N2OSi and a molecular weight of 376.66 g/mol. Its IUPAC name is 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
PubChem CID71625082
Molecular FormulaC22H40N2OSi
Molecular Weight376.66 g/mol
Exact Mass376.29
IUPAC Name4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C22H40N2OSi/c1-19-17-24(18-20-12-8-7-9-13-20)21(16-23-19)14-10-11-15-25-26(5,6)22(2,3)4/h7-9,12-13,19,21,23H,10-11,14-18H2,1-6H3/t19-,21-/m1/s1
InChIKeyRHCSBPWMBOFIJC-TZIWHRDSSA-N
XLogP5.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane (CID 71625082) is 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane is C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1.
What is the InChIKey of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane?
The InChIKey is RHCSBPWMBOFIJC-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H40N2OSi/c1-19-17-24(18-20-12-8-7-9-13-20)21(16-23-19)14-10-11-15-25-26(5,6)22(2,3)4/h7-9,12-13,19,21,23H,10-11,14-18H2,1-6H3/t19-,21-/m1/s1.
What are the key properties of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane?
4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane has a molecular weight of 376.66 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71625082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).