1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

C15H24ClNO2 — CID 11972088

IUPAC1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16;/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3;1H
InChIKeyCHVLJEGOXABBFU-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 11972088) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID11972088
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16;/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3;1H
InChIKeyCHVLJEGOXABBFU-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 11972088) is 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cc1ccccc1OCC(O)CN1CCCCC1.Cl.
What is the InChIKey of 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is CHVLJEGOXABBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16;/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3;1H.
What are the key properties of 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 11972088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).