2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride

C14H21ClN2O2 — CID 73013054

IUPAC2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCCC2CCCCN2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-12-6-4-11(5-7-12)14(17)18-10-8-13-3-1-2-9-16-13;/h4-7,13,16H,1-3,8-10,15H2;1H
InChIKeyQPVYDXGELDYQKN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.38
Rot. Bonds4

About 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride

2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride (PubChem CID 73013054) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
PubChem CID73013054
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCCC2CCCCN2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-12-6-4-11(5-7-12)14(17)18-10-8-13-3-1-2-9-16-13;/h4-7,13,16H,1-3,8-10,15H2;1H
InChIKeyQPVYDXGELDYQKN-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
2-cyclohexylethyl 4-aminobenzoate
CID 114192361
2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
CID 86319798
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-[(2R)-piperidin-2-yl]ethyl cyclopentanecarboxylate
CID 86319749
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride?
The IUPAC name of 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride (CID 73013054) is 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride is Cl.Nc1ccc(C(=O)OCCC2CCCCN2)cc1.
What is the InChIKey of 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride?
The InChIKey is QPVYDXGELDYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-12-6-4-11(5-7-12)14(17)18-10-8-13-3-1-2-9-16-13;/h4-7,13,16H,1-3,8-10,15H2;1H.
What are the key properties of 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride?
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 73013054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).