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

C14H19NO2 — CID 98104651

IUPAC(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESc1ccc([C@H]2OC[C@@H]([C@H]3CCCCN3)O2)cc1
InChIInChI=1S/C14H19NO2/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13+,14+/m1/s1
InChIKeyXKGUUISNOPCNKA-RDBSUJKOSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds2

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

(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine (PubChem CID 98104651) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
PubChem CID98104651
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESc1ccc([C@H]2OC[C@@H]([C@H]3CCCCN3)O2)cc1
InChIInChI=1S/C14H19NO2/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13+,14+/m1/s1
InChIKeyXKGUUISNOPCNKA-RDBSUJKOSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2R,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 129359856
(2S,4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 23248380
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
(4R,4aR,6R,8aS)-6-phenyl-4-[(4R)-2-phenyl-1,3-dioxolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 23252784
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694
(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 14202267
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine (CID 98104651) is (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine is c1ccc([C@H]2OC[C@@H]([C@H]3CCCCN3)O2)cc1.
What is the InChIKey of (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is XKGUUISNOPCNKA-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13+,14+/m1/s1.
What are the key properties of (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine?
(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 98104651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).