ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride

C14H21ClN2O2 — CID 86193109

IUPACethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(N)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12;/h3-7H,2,8-11,15H2,1H3;1H
InChIKeyBMDYBOIAHVHUEK-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride

ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride (PubChem CID 86193109) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
PubChem CID86193109
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nameethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(N)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12;/h3-7H,2,8-11,15H2,1H3;1H
InChIKeyBMDYBOIAHVHUEK-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
CID 21066

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride (CID 86193109) is ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CCN(N)CC1.Cl.
What is the InChIKey of ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is BMDYBOIAHVHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12;/h3-7H,2,8-11,15H2,1H3;1H.
What are the key properties of ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride?
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 86193109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).