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

C15H21ClFNO2 — CID 2912528

IUPAC1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H20FNO2.ClH/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13;/h5-7,10,12H,2-4,8-9,11H2,1H3;1H
InChIKeyFZKKJFWTJPHWQF-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.28
Rot. Bonds4

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

1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride (PubChem CID 2912528) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride
PubChem CID2912528
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC Name1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H20FNO2.ClH/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13;/h5-7,10,12H,2-4,8-9,11H2,1H3;1H
InChIKeyFZKKJFWTJPHWQF-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.28
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-fluorobenzoate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride (CID 2912528) is 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride is CC(CN1CCCCC1)OC(=O)c1cccc(F)c1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride?
The InChIKey is FZKKJFWTJPHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.ClH/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13;/h5-7,10,12H,2-4,8-9,11H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 3-fluorobenzoate;hydrochloride has a molecular weight of 301.79 g/mol, XLogP of 3.28, 4 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-fluorobenzoate;hydrochloride is sourced from PubChem (CID 2912528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).