3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine

C13H21NO — CID 142028461

IUPAC3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
SMILESC=C/C=C(\C=C)COCC1CCCNC1
InChIInChI=1S/C13H21NO/c1-3-6-12(4-2)10-15-11-13-7-5-8-14-9-13/h3-4,6,13-14H,1-2,5,7-11H2/b12-6+
InChIKeyQULLYIRWYOLJOS-WUXMJOGZSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds6

About 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine

3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine (PubChem CID 142028461) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine.

Molecular Properties

Compound Name3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
PubChem CID142028461
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
SMILESC=C/C=C(\C=C)COCC1CCCNC1
InChIInChI=1S/C13H21NO/c1-3-6-12(4-2)10-15-11-13-7-5-8-14-9-13/h3-4,6,13-14H,1-2,5,7-11H2/b12-6+
InChIKeyQULLYIRWYOLJOS-WUXMJOGZSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(prop-2-enoxymethyl)piperidine
CID 26190545
(3S)-3-(prop-2-enoxymethyl)piperidine
CID 26190548
3-(Allyloxymethyl)piperidine
CID 45075300
3-{[(3-Methyl-2-butenyl)oxy]methyl}piperidine hydrochloride
CID 46735610
3-[(Allyloxy)methyl]piperidine hydrochloride
CID 66523886
(3S)-3-(prop-2-enoxymethyl)piperidine;hydrochloride
CID 69040047
(3r)-3-[(Allyloxy)methyl]piperidine hydrochloride salt
CID 69042132
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212
(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 143089643
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
4-[(2E)-2-ethenylpenta-2,4-dienoxy]piperidine
CID 143945258

Frequently Asked Questions

What is the IUPAC name of 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The IUPAC name of 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine (CID 142028461) is 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine.
What is the SMILES notation for 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The canonical SMILES for 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine is C=C/C=C(\C=C)COCC1CCCNC1.
What is the InChIKey of 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
The InChIKey is QULLYIRWYOLJOS-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-12(4-2)10-15-11-13-7-5-8-14-9-13/h3-4,6,13-14H,1-2,5,7-11H2/b12-6+.
What are the key properties of 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine?
3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine is sourced from PubChem (CID 142028461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).