(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal

C15H29NO2 — CID 102135644

IUPAC(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
SMILESCCCC[C@@H](C=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C15H29NO2/c1-6-7-9-13(12-17)18-16-14(2,3)10-8-11-15(16,4)5/h12-13H,6-11H2,1-5H3/t13-/m0/s1
InChIKeyQTDXDFGZTSSBKX-ZDUSSCGKSA-N
MW255.40 g/mol
LogP3.72
Rot. Bonds6

About (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal

(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal (PubChem CID 102135644) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal.

Molecular Properties

Compound Name(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
PubChem CID102135644
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
SMILESCCCC[C@@H](C=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C15H29NO2/c1-6-7-9-13(12-17)18-16-14(2,3)10-8-11-15(16,4)5/h12-13H,6-11H2,1-5H3/t13-/m0/s1
InChIKeyQTDXDFGZTSSBKX-ZDUSSCGKSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal?
The IUPAC name of (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal (CID 102135644) is (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal.
What is the SMILES notation for (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal?
The canonical SMILES for (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal is CCCC[C@@H](C=O)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal?
The InChIKey is QTDXDFGZTSSBKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-7-9-13(12-17)18-16-14(2,3)10-8-11-15(16,4)5/h12-13H,6-11H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal?
(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal has a molecular weight of 255.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal is sourced from PubChem (CID 102135644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).