(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride

C16H24ClNO2 — CID 3048625

IUPAC(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride
SMILESCCC1CN(C)CCC1(OC(C)=O)c1ccccc1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-14-12-17(3)11-10-16(14,19-13(2)18)15-8-6-5-7-9-15;/h5-9,14H,4,10-12H2,1-3H3;1H
InChIKeyRZECAXAHGCQWGS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds3

About (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride

(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride (PubChem CID 3048625) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride
PubChem CID3048625
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride
SMILESCCC1CN(C)CCC1(OC(C)=O)c1ccccc1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-14-12-17(3)11-10-16(14,19-13(2)18)15-8-6-5-7-9-15;/h5-9,14H,4,10-12H2,1-3H3;1H
InChIKeyRZECAXAHGCQWGS-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenylpyraline
CID 3103
Propoxyphene
CID 10100
Alphaprodine
CID 120738
Dextropropoxyphene Hydrochloride
CID 15424
Diphenylpyraline Hydrochloride
CID 66063
Levopropoxyphene
CID 200742
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
4-Piperidinol, 1,3-dimethyl-4-phenyl-, 4-propanoate, hydrochloride (1:1), (3R,4S)-rel-
CID 120737
4-propionyloxy-4-phenyl-N-methylpiperidine
CID 61583
Betaprodine
CID 5284516
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330
Darvon
CID 15329

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride?
The IUPAC name of (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride (CID 3048625) is (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride.
What is the SMILES notation for (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride?
The canonical SMILES for (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride is CCC1CN(C)CCC1(OC(C)=O)c1ccccc1.Cl.
What is the InChIKey of (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride?
The InChIKey is RZECAXAHGCQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-4-14-12-17(3)11-10-16(14,19-13(2)18)15-8-6-5-7-9-15;/h5-9,14H,4,10-12H2,1-3H3;1H.
What are the key properties of (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride?
(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methyl-4-phenylpiperidin-4-yl) acetate;hydrochloride is sourced from PubChem (CID 3048625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).