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

C18H30ClNO2 — CID 16807157

IUPAC1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-15(2)21-14-18(20)13-19-10-8-17(9-11-19)12-16-6-4-3-5-7-16;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H
InChIKeyHOGAJFLNKZEBDT-UHFFFAOYSA-N
MW327.90 g/mol
LogP3.15
Rot. Bonds7

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

1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 16807157) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
PubChem CID16807157
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-15(2)21-14-18(20)13-19-10-8-17(9-11-19)12-16-6-4-3-5-7-16;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H
InChIKeyHOGAJFLNKZEBDT-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 53.15
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-propan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride (CID 16807157) is 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride is CC(C)OCC(O)CN1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is HOGAJFLNKZEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-15(2)21-14-18(20)13-19-10-8-17(9-11-19)12-16-6-4-3-5-7-16;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
1-(4-benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 3.15, 7 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-propan-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 16807157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).