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

C15H21NO2 — CID 15749446

IUPAC(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C15H21NO2/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyPSSUWQYMIZSKML-ZNMIVQPWSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds2

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

(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (PubChem CID 15749446) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
PubChem CID15749446
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C15H21NO2/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyPSSUWQYMIZSKML-ZNMIVQPWSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
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-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (CID 15749446) is (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is C[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is PSSUWQYMIZSKML-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.42, 2 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-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 15749446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).