2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride

C15H22ClNO2 — CID 13478099

IUPAC2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OCCN1CCCCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-13-7-3-4-8-14(13)15(17)18-12-11-16-9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H
InChIKeyZZUWETJICMKLBO-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.06
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride

2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride (PubChem CID 13478099) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
PubChem CID13478099
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OCCN1CCCCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-13-7-3-4-8-14(13)15(17)18-12-11-16-9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H
InChIKeyZZUWETJICMKLBO-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-piperidin-1-ylethyl 2-hydroxybenzoate
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2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine
CID 110185675
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
propyl 2-methylbenzoate
CID 23432654
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
piperidin-1-yl 2-methylbenzoate
CID 174733401
2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate
CID 54054153
2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate
CID 649473
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-piperidin-1-ylethyl 6-bromo-3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride (CID 13478099) is 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride is Cc1ccccc1C(=O)OCCN1CCCCC1.Cl.
What is the InChIKey of 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride?
The InChIKey is ZZUWETJICMKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-13-7-3-4-8-14(13)15(17)18-12-11-16-9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride?
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride is sourced from PubChem (CID 13478099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).