1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine

C15H22FN — CID 143143754

IUPAC1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
SMILESC=C/C=C(\C(=C)F)[C@H](C)N1CC(=C)CC(C)C1
InChIInChI=1S/C15H22FN/c1-6-7-15(13(4)16)14(5)17-9-11(2)8-12(3)10-17/h6-7,12,14H,1-2,4,8-10H2,3,5H3/b15-7+/t12?,14-/m0/s1
InChIKeyUNTBNOJNUUGDGC-PQSUJBPVSA-N
MW235.35 g/mol
LogP3.87
Rot. Bonds4

About 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine

1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine (PubChem CID 143143754) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
PubChem CID143143754
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
SMILESC=C/C=C(\C(=C)F)[C@H](C)N1CC(=C)CC(C)C1
InChIInChI=1S/C15H22FN/c1-6-7-15(13(4)16)14(5)17-9-11(2)8-12(3)10-17/h6-7,12,14H,1-2,4,8-10H2,3,5H3/b15-7+/t12?,14-/m0/s1
InChIKeyUNTBNOJNUUGDGC-PQSUJBPVSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine?
The IUPAC name of 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine (CID 143143754) is 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine.
What is the SMILES notation for 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine?
The canonical SMILES for 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine is C=C/C=C(\C(=C)F)[C@H](C)N1CC(=C)CC(C)C1.
What is the InChIKey of 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine?
The InChIKey is UNTBNOJNUUGDGC-PQSUJBPVSA-N. The full InChI is InChI=1S/C15H22FN/c1-6-7-15(13(4)16)14(5)17-9-11(2)8-12(3)10-17/h6-7,12,14H,1-2,4,8-10H2,3,5H3/b15-7+/t12?,14-/m0/s1.
What are the key properties of 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine?
1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine has a molecular weight of 235.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine is sourced from PubChem (CID 143143754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).