ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine

C16H30FNO — CID 143759829

IUPACethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
SMILESC/C=C(F)\C(=C/CC)OCCC1CCNCC1.CC
InChIInChI=1S/C14H24FNO.C2H6/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12;1-2/h4-5,12,16H,3,6-11H2,1-2H3;1-2H3/b13-4+,14-5+;
InChIKeyVNIVATBKFONOGU-SBYRGWOTSA-N
MW271.42 g/mol
LogP4.59
Rot. Bonds6

About ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine

ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine (PubChem CID 143759829) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine.

Molecular Properties

Compound Nameethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
PubChem CID143759829
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Nameethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
SMILESC/C=C(F)\C(=C/CC)OCCC1CCNCC1.CC
InChIInChI=1S/C14H24FNO.C2H6/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12;1-2/h4-5,12,16H,3,6-11H2,1-2H3;1-2H3/b13-4+,14-5+;
InChIKeyVNIVATBKFONOGU-SBYRGWOTSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 54.59
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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Related Compounds

3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
CID 170614897
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
3-[(6-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104786
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104987
3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine
CID 143089619

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The IUPAC name of ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine (CID 143759829) is ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine.
What is the SMILES notation for ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The canonical SMILES for ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine is C/C=C(F)\C(=C/CC)OCCC1CCNCC1.CC.
What is the InChIKey of ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The InChIKey is VNIVATBKFONOGU-SBYRGWOTSA-N. The full InChI is InChI=1S/C14H24FNO.C2H6/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12;1-2/h4-5,12,16H,3,6-11H2,1-2H3;1-2H3/b13-4+,14-5+;.
What are the key properties of ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine has a molecular weight of 271.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine is sourced from PubChem (CID 143759829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).