(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine

C12H18FN — CID 144607840

IUPAC(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine
SMILESC=C/C=C(\C=C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C12H18FN/c1-3-6-11(4-2)9-14-8-5-7-12(13)10-14/h3-4,6,12H,1-2,5,7-10H2/b11-6+/t12-/m1/s1
InChIKeyCBIAOCOXTKRWEU-IGEMTJHASA-N
MW195.28 g/mol
LogP2.72
Rot. Bonds4

About (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine

(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine (PubChem CID 144607840) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine.

Molecular Properties

Compound Name(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine
PubChem CID144607840
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine
SMILESC=C/C=C(\C=C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C12H18FN/c1-3-6-11(4-2)9-14-8-5-7-12(13)10-14/h3-4,6,12H,1-2,5,7-10H2/b11-6+/t12-/m1/s1
InChIKeyCBIAOCOXTKRWEU-IGEMTJHASA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine?
The IUPAC name of (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine (CID 144607840) is (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine.
What is the SMILES notation for (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine?
The canonical SMILES for (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine is C=C/C=C(\C=C)CN1CCC[C@@H](F)C1.
What is the InChIKey of (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine?
The InChIKey is CBIAOCOXTKRWEU-IGEMTJHASA-N. The full InChI is InChI=1S/C12H18FN/c1-3-6-11(4-2)9-14-8-5-7-12(13)10-14/h3-4,6,12H,1-2,5,7-10H2/b11-6+/t12-/m1/s1.
What are the key properties of (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine?
(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine has a molecular weight of 195.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine is sourced from PubChem (CID 144607840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).