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

C17H25NO2 — CID 15749448

IUPAC(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine
SMILESCC(C)[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C17H25NO2/c1-13(2)17(14-8-4-3-5-9-14)19-12-16(20-17)15-10-6-7-11-18-15/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyYODRNYXOLZITGS-BBWFWOEESA-N
MW275.39 g/mol
LogP3.05
Rot. Bonds3

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

(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine (PubChem CID 15749448) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine
PubChem CID15749448
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine
SMILESCC(C)[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C17H25NO2/c1-13(2)17(14-8-4-3-5-9-14)19-12-16(20-17)15-10-6-7-11-18-15/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyYODRNYXOLZITGS-BBWFWOEESA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine (CID 15749448) is (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine is CC(C)[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is YODRNYXOLZITGS-BBWFWOEESA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)17(14-8-4-3-5-9-14)19-12-16(20-17)15-10-6-7-11-18-15/h3-5,8-9,13,15-16,18H,6-7,10-12H2,1-2H3/t15-,16+,17-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.05, 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-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 15749448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).