(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine

C14H22FN — CID 134292242

IUPAC(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
SMILESC=C/C=C(F)\C(C)=C/C[C@H]1CCCN(C)C1
InChIInChI=1S/C14H22FN/c1-4-6-14(15)12(2)8-9-13-7-5-10-16(3)11-13/h4,6,8,13H,1,5,7,9-11H2,2-3H3/b12-8-,14-6+/t13-/m1/s1
InChIKeyUFHZGJSSVVBTAI-ICPSBJJGSA-N
MW223.34 g/mol
LogP3.70
Rot. Bonds4

About (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine

(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine (PubChem CID 134292242) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
PubChem CID134292242
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
SMILESC=C/C=C(F)\C(C)=C/C[C@H]1CCCN(C)C1
InChIInChI=1S/C14H22FN/c1-4-6-14(15)12(2)8-9-13-7-5-10-16(3)11-13/h4,6,8,13H,1,5,7,9-11H2,2-3H3/b12-8-,14-6+/t13-/m1/s1
InChIKeyUFHZGJSSVVBTAI-ICPSBJJGSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.70
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)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine?
The IUPAC name of (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine (CID 134292242) is (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine.
What is the SMILES notation for (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine?
The canonical SMILES for (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine is C=C/C=C(F)\C(C)=C/C[C@H]1CCCN(C)C1.
What is the InChIKey of (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine?
The InChIKey is UFHZGJSSVVBTAI-ICPSBJJGSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-6-14(15)12(2)8-9-13-7-5-10-16(3)11-13/h4,6,8,13H,1,5,7,9-11H2,2-3H3/b12-8-,14-6+/t13-/m1/s1.
What are the key properties of (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine?
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine has a molecular weight of 223.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine is sourced from PubChem (CID 134292242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).