1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride

C17H26ClNO3 — CID 2913384

IUPAC1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1.Cl
InChIInChI=1S/C17H25NO3.ClH/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
InChIKeyDPANRFFGZNCUSJ-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.54
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride

1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride (PubChem CID 2913384) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride
PubChem CID2913384
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1.Cl
InChIInChI=1S/C17H25NO3.ClH/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
InChIKeyDPANRFFGZNCUSJ-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.54
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 4-ethoxybenzoate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride (CID 2913384) is 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride is CCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride?
The InChIKey is DPANRFFGZNCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3.ClH/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride has a molecular weight of 327.85 g/mol, XLogP of 3.54, 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 4-ethoxybenzoate;hydrochloride is sourced from PubChem (CID 2913384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).