3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane

C17H30N2OSi — CID 123685954

IUPAC3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
SMILESC[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H30N2OSi/c1-21(2,3)20-13-7-10-17-15-19(12-11-18-17)14-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3
InChIKeyAKBPYCHFDNQJJY-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.09
Rot. Bonds7

About 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane

3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane (PubChem CID 123685954) has the molecular formula C17H30N2OSi and a molecular weight of 306.53 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane.

Molecular Properties

Compound Name3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
PubChem CID123685954
Molecular FormulaC17H30N2OSi
Molecular Weight306.53 g/mol
Exact Mass306.21
IUPAC Name3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
SMILESC[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H30N2OSi/c1-21(2,3)20-13-7-10-17-15-19(12-11-18-17)14-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3
InChIKeyAKBPYCHFDNQJJY-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.09
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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Related Compounds

1-benzyl-3-butylpiperazine
CID 19353079
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
3-[(3-butylpiperazin-1-yl)methyl]benzoic acid
CID 44828715
(3R)-1-benzyl-3-[2-(2-bromophenoxy)ethyl]piperazine;1-bromo-2-fluorobenzene
CID 162207339
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane?
The IUPAC name of 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane (CID 123685954) is 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane.
What is the SMILES notation for 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane?
The canonical SMILES for 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane is C[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCN1.
What is the InChIKey of 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane?
The InChIKey is AKBPYCHFDNQJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OSi/c1-21(2,3)20-13-7-10-17-15-19(12-11-18-17)14-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3.
What are the key properties of 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane?
3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane has a molecular weight of 306.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane is sourced from PubChem (CID 123685954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).