1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

C14H21Cl2NO2 — CID 2851230

IUPAC1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C14H20ClNO2.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H
InChIKeyJLTMARNJPZCGQV-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2851230) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2851230
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C14H20ClNO2.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H
InChIKeyJLTMARNJPZCGQV-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 2851230) is 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COc1ccc(Cl)cc1)CN1CCCCC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is JLTMARNJPZCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H.
What are the key properties of 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 306.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2851230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).