1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol

C15H23ClN2O2 — CID 90018634

IUPAC1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H23ClN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-13-3-4-14(16)17-9-13/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyMLWFONVOOWUNME-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol

1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 90018634) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID90018634
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H23ClN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-13-3-4-14(16)17-9-13/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyMLWFONVOOWUNME-UHFFFAOYSA-N
XLogP2.60
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (CID 90018634) is 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC(COc2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is MLWFONVOOWUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,19)11-18-7-5-12(6-8-18)10-20-13-3-4-14(16)17-9-13/h3-4,9,12,19H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 298.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 90018634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).