[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol

C11H13Cl3N2O — CID 102750420

IUPAC[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(15-10(8)14)16-3-1-2-7(5-16)6-17/h4,7,17H,1-3,5-6H2
InChIKeyNQFMHPUYPLBCQI-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.25
Rot. Bonds2

About [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol

[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 102750420) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID102750420
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(15-10(8)14)16-3-1-2-7(5-16)6-17/h4,7,17H,1-3,5-6H2
InChIKeyNQFMHPUYPLBCQI-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
CID 102752005
4-methyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751116
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 102759541
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 171783328
[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114064234

Frequently Asked Questions

What is the IUPAC name of [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol (CID 102750420) is [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol is OCC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is NQFMHPUYPLBCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(15-10(8)14)16-3-1-2-7(5-16)6-17/h4,7,17H,1-3,5-6H2.
What are the key properties of [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol?
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 295.60 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 102750420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).