1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride

C16H23Cl2NO3 — CID 2928132

IUPAC1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H
InChIKeyNUITZQQGAXAGAI-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.56
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride

1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride (PubChem CID 2928132) has the molecular formula C16H23Cl2NO3 and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride
PubChem CID2928132
Molecular FormulaC16H23Cl2NO3
Molecular Weight348.27 g/mol
Exact Mass347.11
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H
InChIKeyNUITZQQGAXAGAI-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride (CID 2928132) is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride is CC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride?
The InChIKey is NUITZQQGAXAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate;hydrochloride is sourced from PubChem (CID 2928132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).