piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride

C14H18ClNO4 — CID 24746909

IUPACpiperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4.ClH/c16-14(17-8-10-3-5-15-6-4-10)11-1-2-12-13(7-11)19-9-18-12;/h1-2,7,10,15H,3-6,8-9H2;1H
InChIKeyWEWYWPYAHOZYLN-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.99
Rot. Bonds3

About piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride

piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride (PubChem CID 24746909) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride
PubChem CID24746909
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Namepiperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4.ClH/c16-14(17-8-10-3-5-15-6-4-10)11-1-2-12-13(7-11)19-9-18-12;/h1-2,7,10,15H,3-6,8-9H2;1H
InChIKeyWEWYWPYAHOZYLN-UHFFFAOYSA-N
XLogP1.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride (CID 24746909) is piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride is Cl.O=C(OCC1CCNCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride?
The InChIKey is WEWYWPYAHOZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.ClH/c16-14(17-8-10-3-5-15-6-4-10)11-1-2-12-13(7-11)19-9-18-12;/h1-2,7,10,15H,3-6,8-9H2;1H.
What are the key properties of piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride?
piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 1,3-benzodioxole-5-carboxylate;hydrochloride is sourced from PubChem (CID 24746909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).