(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride

C15H22ClNO2 — CID 15944978

IUPAC(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride
SMILESCC1CC(OC(=O)c2ccccc2)CC(C)N1C.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11-9-14(10-12(2)16(11)3)18-15(17)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H
InChIKeyCTYCCBBIBDWCQJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.14
Rot. Bonds2

About (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride

(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride (PubChem CID 15944978) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride.

Molecular Properties

Compound Name(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride
PubChem CID15944978
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride
SMILESCC1CC(OC(=O)c2ccccc2)CC(C)N1C.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11-9-14(10-12(2)16(11)3)18-15(17)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H
InChIKeyCTYCCBBIBDWCQJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride?
The IUPAC name of (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride (CID 15944978) is (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride.
What is the SMILES notation for (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride?
The canonical SMILES for (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride is CC1CC(OC(=O)c2ccccc2)CC(C)N1C.Cl.
What is the InChIKey of (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride?
The InChIKey is CTYCCBBIBDWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-11-9-14(10-12(2)16(11)3)18-15(17)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H.
What are the key properties of (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride?
(1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride is sourced from PubChem (CID 15944978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).