[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol

C17H25ClN2OSi — CID 167426742

IUPAC[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2cc(Cl)ncc2C#C[Si](C)(C)C)CC1
InChIInChI=1S/C17H25ClN2OSi/c1-17(13-21)6-8-20(9-7-17)15-11-16(18)19-12-14(15)5-10-22(2,3)4/h11-12,21H,6-9,13H2,1-4H3
InChIKeyKYGNZQJKJPAQRA-UHFFFAOYSA-N
MW336.94 g/mol
LogP3.56
Rot. Bonds2

About [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol

[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol (PubChem CID 167426742) has the molecular formula C17H25ClN2OSi and a molecular weight of 336.94 g/mol. Its IUPAC name is [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol
PubChem CID167426742
Molecular FormulaC17H25ClN2OSi
Molecular Weight336.94 g/mol
Exact Mass336.14
IUPAC Name[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2cc(Cl)ncc2C#C[Si](C)(C)C)CC1
InChIInChI=1S/C17H25ClN2OSi/c1-17(13-21)6-8-20(9-7-17)15-11-16(18)19-12-14(15)5-10-22(2,3)4/h11-12,21H,6-9,13H2,1-4H3
InChIKeyKYGNZQJKJPAQRA-UHFFFAOYSA-N
XLogP3.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol (CID 167426742) is [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol is CC1(CO)CCN(c2cc(Cl)ncc2C#C[Si](C)(C)C)CC1.
What is the InChIKey of [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol?
The InChIKey is KYGNZQJKJPAQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OSi/c1-17(13-21)6-8-20(9-7-17)15-11-16(18)19-12-14(15)5-10-22(2,3)4/h11-12,21H,6-9,13H2,1-4H3.
What are the key properties of [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol?
[1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol has a molecular weight of 336.94 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(2-trimethylsilylethynyl)-4-pyridinyl]-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 167426742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).