4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine

C14H21F2NO — CID 142816324

IUPAC4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine
SMILESC/C=C\C=C(F)/C(OCC1CCNCC1)=C(\C)F
InChIInChI=1S/C14H21F2NO/c1-3-4-5-13(16)14(11(2)15)18-10-12-6-8-17-9-7-12/h3-5,12,17H,6-10H2,1-2H3/b4-3-,13-5+,14-11-
InChIKeyDNJGEYBVVHGJAL-RNFMXNQDSA-N
MW257.32 g/mol
LogP3.63
Rot. Bonds5

About 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine

4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine (PubChem CID 142816324) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine
PubChem CID142816324
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine
SMILESC/C=C\C=C(F)/C(OCC1CCNCC1)=C(\C)F
InChIInChI=1S/C14H21F2NO/c1-3-4-5-13(16)14(11(2)15)18-10-12-6-8-17-9-7-12/h3-5,12,17H,6-10H2,1-2H3/b4-3-,13-5+,14-11-
InChIKeyDNJGEYBVVHGJAL-RNFMXNQDSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine?
The IUPAC name of 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine (CID 142816324) is 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine.
What is the SMILES notation for 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine?
The canonical SMILES for 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine is C/C=C\C=C(F)/C(OCC1CCNCC1)=C(\C)F.
What is the InChIKey of 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine?
The InChIKey is DNJGEYBVVHGJAL-RNFMXNQDSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-4-5-13(16)14(11(2)15)18-10-12-6-8-17-9-7-12/h3-5,12,17H,6-10H2,1-2H3/b4-3-,13-5+,14-11-.
What are the key properties of 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine?
4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine has a molecular weight of 257.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine is sourced from PubChem (CID 142816324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).