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

C17H28ClNO2 — CID 16807026

IUPAC1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCCC(OCC(O)CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-2-17(15-9-5-3-6-10-15)20-14-16(19)13-18-11-7-4-8-12-18;/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3;1H
InChIKeyHLBWRWJAYKXJAQ-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.42
Rot. Bonds7

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

1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 16807026) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID16807026
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCCC(OCC(O)CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-2-17(15-9-5-3-6-10-15)20-14-16(19)13-18-11-7-4-8-12-18;/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3;1H
InChIKeyHLBWRWJAYKXJAQ-UHFFFAOYSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 16807026) is 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is CCC(OCC(O)CN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is HLBWRWJAYKXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-2-17(15-9-5-3-6-10-15)20-14-16(19)13-18-11-7-4-8-12-18;/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3;1H.
What are the key properties of 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 16807026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).