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

C18H27NO2 — CID 15749449

IUPAC(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESCCCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C18H27NO2/c1-2-3-12-18(15-9-5-4-6-10-15)20-14-17(21-18)16-11-7-8-13-19-16/h4-6,9-10,16-17,19H,2-3,7-8,11-14H2,1H3/t16-,17+,18-/m0/s1
InChIKeyQXJLJTMEWKPCIU-KSZLIROESA-N
MW289.42 g/mol
LogP3.59
Rot. Bonds5

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

(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (PubChem CID 15749449) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
PubChem CID15749449
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
SMILESCCCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C18H27NO2/c1-2-3-12-18(15-9-5-4-6-10-15)20-14-17(21-18)16-11-7-8-13-19-16/h4-6,9-10,16-17,19H,2-3,7-8,11-14H2,1H3/t16-,17+,18-/m0/s1
InChIKeyQXJLJTMEWKPCIU-KSZLIROESA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.59
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-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine (CID 15749449) is (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is CCCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is QXJLJTMEWKPCIU-KSZLIROESA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-12-18(15-9-5-4-6-10-15)20-14-17(21-18)16-11-7-8-13-19-16/h4-6,9-10,16-17,19H,2-3,7-8,11-14H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.59, 5 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-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 15749449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).