2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride

C17H26ClNO4 — CID 23723184

IUPAC2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride
SMILESCCCOc1ccc(C(=O)OCCN2CCCCC2)c(O)c1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-2-11-21-14-6-7-15(16(19)13-14)17(20)22-12-10-18-8-4-3-5-9-18;/h6-7,13,19H,2-5,8-12H2,1H3;1H
InChIKeyQCLBKXKLUDFRIO-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.25
Rot. Bonds7

About 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride

2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride (PubChem CID 23723184) has the molecular formula C17H26ClNO4 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride
PubChem CID23723184
Molecular FormulaC17H26ClNO4
Molecular Weight343.85 g/mol
Exact Mass343.16
IUPAC Name2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride
SMILESCCCOc1ccc(C(=O)OCCN2CCCCC2)c(O)c1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-2-11-21-14-6-7-15(16(19)13-14)17(20)22-12-10-18-8-4-3-5-9-18;/h6-7,13,19H,2-5,8-12H2,1H3;1H
InChIKeyQCLBKXKLUDFRIO-UHFFFAOYSA-N
XLogP3.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride (CID 23723184) is 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride is CCCOc1ccc(C(=O)OCCN2CCCCC2)c(O)c1.Cl.
What is the InChIKey of 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride?
The InChIKey is QCLBKXKLUDFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4.ClH/c1-2-11-21-14-6-7-15(16(19)13-14)17(20)22-12-10-18-8-4-3-5-9-18;/h6-7,13,19H,2-5,8-12H2,1H3;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride?
2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-hydroxy-4-propoxybenzoate;hydrochloride is sourced from PubChem (CID 23723184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).