(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine

C16H23NO2 — CID 14208380

💊View drug profile → etoxadrol
IUPAC(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1
InChIKeyINOYCBNLWYEPSB-XHSDSOJGSA-N
MW261.36 g/mol
LogP2.81
Rot. Bonds3

About (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine

(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (PubChem CID 14208380) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
PubChem CID14208380
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1
InChIKeyINOYCBNLWYEPSB-XHSDSOJGSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenmetrazine
CID 4762
Phenmetrazine Hydrochloride
CID 92159
Dexoxadrol
CID 3034023
Oxapium Iodide
CID 168884
Dioxadrol
CID 66270
Dioxadrol Hydrochloride
CID 66269
Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
Levoxadrol
CID 14208378
2-Phenylmorpholine
CID 91101
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol
CID 46837647
Lactoglobulins, beta-
CID 167312513
5,5-Dimethyl-2-phenylmorpholine
CID 97711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (CID 14208380) is (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is CC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is INOYCBNLWYEPSB-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 14208380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).