1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

C19H32ClNO2 — CID 18593266

IUPAC1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16;/h4-8,17-18,21H,9-15H2,1-3H3;1H
InChIKeyBDASOFROXGJQBR-UHFFFAOYSA-N
MW341.92 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593266) has the molecular formula C19H32ClNO2 and a molecular weight of 341.92 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
PubChem CID18593266
Molecular FormulaC19H32ClNO2
Molecular Weight341.92 g/mol
Exact Mass341.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16;/h4-8,17-18,21H,9-15H2,1-3H3;1H
InChIKeyBDASOFROXGJQBR-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (CID 18593266) is 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is CC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is BDASOFROXGJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2.ClH/c1-19(2,3)22-15-18(21)14-20-11-9-17(10-12-20)13-16-7-5-4-6-8-16;/h4-8,17-18,21H,9-15H2,1-3H3;1H.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 341.92 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).