[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane

C17H28N2Si — CID 103438353

IUPAC[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H28N2Si/c1-20(2,3)17-8-4-15(5-9-17)14-18-10-12-19(13-11-18)16-6-7-16/h4-5,8-9,16H,6-7,10-14H2,1-3H3
InChIKeyMKQYBDDTFBYJBW-UHFFFAOYSA-N
MW288.51 g/mol
LogP2.51
Rot. Bonds4

About [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane

[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane (PubChem CID 103438353) has the molecular formula C17H28N2Si and a molecular weight of 288.51 g/mol. Its IUPAC name is [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
PubChem CID103438353
Molecular FormulaC17H28N2Si
Molecular Weight288.51 g/mol
Exact Mass288.20
IUPAC Name[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H28N2Si/c1-20(2,3)17-8-4-15(5-9-17)14-18-10-12-19(13-11-18)16-6-7-16/h4-5,8-9,16H,6-7,10-14H2,1-3H3
InChIKeyMKQYBDDTFBYJBW-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
CID 103438191
1-benzyl-4-cyclopropylpiperazine
CID 69195043
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
CID 100718936
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
bis(1-[(4-ethylphenyl)methyl]-4-(4-methylcyclohexyl)piperazine);oxalic acid
CID 134264054
1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 882791
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
CID 3764341

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane (CID 103438353) is [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(CN2CCN(C3CC3)CC2)cc1.
What is the InChIKey of [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane?
The InChIKey is MKQYBDDTFBYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2Si/c1-20(2,3)17-8-4-15(5-9-17)14-18-10-12-19(13-11-18)16-6-7-16/h4-5,8-9,16H,6-7,10-14H2,1-3H3.
What are the key properties of [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane?
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).