(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine

C13H23FN2 — CID 137483340

IUPAC(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
SMILESCC/C(N)=C(F)\C=C(/C)C1CCN(C)CC1
InChIInChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9,11H,4-8,15H2,1-3H3/b10-9+,13-12-
InChIKeyKVFJUEBKNGWDNK-FWIFIWDMSA-N
MW226.34 g/mol
LogP2.82
Rot. Bonds3

About (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine

(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine (PubChem CID 137483340) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
PubChem CID137483340
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
SMILESCC/C(N)=C(F)\C=C(/C)C1CCN(C)CC1
InChIInChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9,11H,4-8,15H2,1-3H3/b10-9+,13-12-
InChIKeyKVFJUEBKNGWDNK-FWIFIWDMSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.82
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

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
CID 134365665
4-[(2Z,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 134365676
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
4-[(3Z)-5-fluoroocta-1,3-dien-2-yl]-1-methylpiperidine
CID 134365702
N-fluoro-5-(1-methylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-amine
CID 134365781
4-[(3Z,5Z)-7-fluoroocta-3,5,7-trien-4-yl]-1-methylpiperidine
CID 134365789
4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 134365832

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine?
The IUPAC name of (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine (CID 137483340) is (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine?
The canonical SMILES for (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine is CC/C(N)=C(F)\C=C(/C)C1CCN(C)CC1.
What is the InChIKey of (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine?
The InChIKey is KVFJUEBKNGWDNK-FWIFIWDMSA-N. The full InChI is InChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9,11H,4-8,15H2,1-3H3/b10-9+,13-12-.
What are the key properties of (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine?
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine has a molecular weight of 226.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine is sourced from PubChem (CID 137483340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).