(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride

C14H20ClNO2 — CID 2928045

IUPAC(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OC1CCCN(C)C1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-6-3-4-8-13(11)14(16)17-12-7-5-9-15(2)10-12;/h3-4,6,8,12H,5,7,9-10H2,1-2H3;1H
InChIKeyCTIRNWJEKPKEKY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.67
Rot. Bonds2

About (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride

(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride (PubChem CID 2928045) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride
PubChem CID2928045
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OC1CCCN(C)C1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-6-3-4-8-13(11)14(16)17-12-7-5-9-15(2)10-12;/h3-4,6,8,12H,5,7,9-10H2,1-2H3;1H
InChIKeyCTIRNWJEKPKEKY-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride (CID 2928045) is (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride is Cc1ccccc1C(=O)OC1CCCN(C)C1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride?
The InChIKey is CTIRNWJEKPKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11-6-3-4-8-13(11)14(16)17-12-7-5-9-15(2)10-12;/h3-4,6,8,12H,5,7,9-10H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride?
(1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-methylbenzoate;hydrochloride is sourced from PubChem (CID 2928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).