1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride

C17H26ClNO2 — CID 2930160

IUPAC1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)CCc1ccccc1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16;/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3;1H
InChIKeyMZZBXOKWRRMEPY-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.46
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride

1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride (PubChem CID 2930160) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride
PubChem CID2930160
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)CCc1ccccc1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16;/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3;1H
InChIKeyMZZBXOKWRRMEPY-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride (CID 2930160) is 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride is CC(CN1CCCCC1)OC(=O)CCc1ccccc1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride?
The InChIKey is MZZBXOKWRRMEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16;/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 2930160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).