1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride

C20H34ClNO2 — CID 16958192

IUPAC1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-4-20(2,3)23-16-19(22)15-21-12-10-18(11-13-21)14-17-8-6-5-7-9-17;/h5-9,18-19,22H,4,10-16H2,1-3H3;1H
InChIKeyZQCZCWCQRXUTHD-UHFFFAOYSA-N
MW355.95 g/mol
LogP3.93
Rot. Bonds8

About 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride

1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride (PubChem CID 16958192) has the molecular formula C20H34ClNO2 and a molecular weight of 355.95 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
PubChem CID16958192
Molecular FormulaC20H34ClNO2
Molecular Weight355.95 g/mol
Exact Mass355.23
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-4-20(2,3)23-16-19(22)15-21-12-10-18(11-13-21)14-17-8-6-5-7-9-17;/h5-9,18-19,22H,4,10-16H2,1-3H3;1H
InChIKeyZQCZCWCQRXUTHD-UHFFFAOYSA-N
XLogP3.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 53.93
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-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride (CID 16958192) is 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride is CCC(C)(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The InChIKey is ZQCZCWCQRXUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2.ClH/c1-4-20(2,3)23-16-19(22)15-21-12-10-18(11-13-21)14-17-8-6-5-7-9-17;/h5-9,18-19,22H,4,10-16H2,1-3H3;1H.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
1-(4-benzylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 3.93, 8 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-methylbutan-2-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 16958192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).