(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride

C14H20ClNO2 — CID 2827004

IUPAC(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride
SMILESCC1CN(C)CCC1OC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-10-15(2)9-8-13(11)17-14(16)12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H
InChIKeyRYEFTQLNVUFRQS-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.61
Rot. Bonds2

About (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride

(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride (PubChem CID 2827004) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride.

Molecular Properties

Compound Name(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride
PubChem CID2827004
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride
SMILESCC1CN(C)CCC1OC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-10-15(2)9-8-13(11)17-14(16)12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H
InChIKeyRYEFTQLNVUFRQS-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride?
The IUPAC name of (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride (CID 2827004) is (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride.
What is the SMILES notation for (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride?
The canonical SMILES for (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride is CC1CN(C)CCC1OC(=O)c1ccccc1.Cl.
What is the InChIKey of (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride?
The InChIKey is RYEFTQLNVUFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11-10-15(2)9-8-13(11)17-14(16)12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H.
What are the key properties of (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride?
(1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpiperidin-4-yl) benzoate;hydrochloride is sourced from PubChem (CID 2827004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).