4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine

C13H23FN2 — CID 123833845

IUPAC4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine
SMILESCC=C(F)C=CC(C)C1(N)CCNCC1C
InChIInChI=1S/C13H23FN2/c1-4-12(14)6-5-10(2)13(15)7-8-16-9-11(13)3/h4-6,10-11,16H,7-9,15H2,1-3H3
InChIKeyXSNVBMRLRCYVKM-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.38
Rot. Bonds3

About 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine

4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine (PubChem CID 123833845) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine
PubChem CID123833845
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine
SMILESCC=C(F)C=CC(C)C1(N)CCNCC1C
InChIInChI=1S/C13H23FN2/c1-4-12(14)6-5-10(2)13(15)7-8-16-9-11(13)3/h4-6,10-11,16H,7-9,15H2,1-3H3
InChIKeyXSNVBMRLRCYVKM-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine?
The IUPAC name of 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine (CID 123833845) is 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine?
The canonical SMILES for 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine is CC=C(F)C=CC(C)C1(N)CCNCC1C.
What is the InChIKey of 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine?
The InChIKey is XSNVBMRLRCYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c1-4-12(14)6-5-10(2)13(15)7-8-16-9-11(13)3/h4-6,10-11,16H,7-9,15H2,1-3H3.
What are the key properties of 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine?
4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 123833845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).