(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride

C16H24ClNO2 — CID 3063628

IUPAC(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(CC)CC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-15(18)19-16(14-8-6-5-7-9-14)10-12-17(4-2)13-11-16;/h5-9H,3-4,10-13H2,1-2H3;1H
InChIKeyQTVNDHWYBVBYJX-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.37
Rot. Bonds4

About (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride

(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 3063628) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID3063628
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(CC)CC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-15(18)19-16(14-8-6-5-7-9-14)10-12-17(4-2)13-11-16;/h5-9H,3-4,10-13H2,1-2H3;1H
InChIKeyQTVNDHWYBVBYJX-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3103
Propoxyphene
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Alphaprodine
CID 120738
Dextropropoxyphene Hydrochloride
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Propiverine
CID 4942
Diphenylpyraline Hydrochloride
CID 66063
Levopropoxyphene
CID 200742
4-Piperidinol, 1,3-dimethyl-4-phenyl-, 4-propanoate, hydrochloride (1:1), (3R,4S)-rel-
CID 120737
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
4-propionyloxy-4-phenyl-N-methylpiperidine
CID 61583
Betaprodine
CID 5284516
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (CID 3063628) is (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride is CCC(=O)OC1(c2ccccc2)CCN(CC)CC1.Cl.
What is the InChIKey of (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is QTVNDHWYBVBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-3-15(18)19-16(14-8-6-5-7-9-14)10-12-17(4-2)13-11-16;/h5-9H,3-4,10-13H2,1-2H3;1H.
What are the key properties of (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
(1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 3063628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).