1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine

C12H21NO2 — CID 141448973

IUPAC1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine
SMILESC/C=C/OCC1CCCCN1O/C=C/C
InChIInChI=1S/C12H21NO2/c1-3-9-14-11-12-7-5-6-8-13(12)15-10-4-2/h3-4,9-10,12H,5-8,11H2,1-2H3/b9-3+,10-4+
InChIKeyRSURBCWXHVPNNA-LQIBPGRFSA-N
MW211.31 g/mol
LogP2.86
Rot. Bonds5

About 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine

1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine (PubChem CID 141448973) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine
PubChem CID141448973
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine
SMILESC/C=C/OCC1CCCCN1O/C=C/C
InChIInChI=1S/C12H21NO2/c1-3-9-14-11-12-7-5-6-8-13(12)15-10-4-2/h3-4,9-10,12H,5-8,11H2,1-2H3/b9-3+,10-4+
InChIKeyRSURBCWXHVPNNA-LQIBPGRFSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176604051
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
1-methyl-2-(2-methylbut-2-enyl)piperidine
CID 91142338
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
(2-ethylpiperidin-1-yl) acetate
CID 70168459
N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
CID 77010204
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine?
The IUPAC name of 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine (CID 141448973) is 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine?
The canonical SMILES for 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine is C/C=C/OCC1CCCCN1O/C=C/C.
What is the InChIKey of 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine?
The InChIKey is RSURBCWXHVPNNA-LQIBPGRFSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9-14-11-12-7-5-6-8-13(12)15-10-4-2/h3-4,9-10,12H,5-8,11H2,1-2H3/b9-3+,10-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine?
1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine has a molecular weight of 211.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine is sourced from PubChem (CID 141448973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).