N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine

C11H17FN2 — CID 145284766

IUPACN-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(F)/C=C\C(=C)NC1CCNCC1
InChIInChI=1S/C11H17FN2/c1-9(12)3-4-10(2)14-11-5-7-13-8-6-11/h3-4,11,13-14H,1-2,5-8H2/b4-3-
InChIKeyQWAISPDLZZJTCA-ARJAWSKDSA-N
MW196.27 g/mol
LogP1.88
Rot. Bonds4

About N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine

N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine (PubChem CID 145284766) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
PubChem CID145284766
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(F)/C=C\C(=C)NC1CCNCC1
InChIInChI=1S/C11H17FN2/c1-9(12)3-4-10(2)14-11-5-7-13-8-6-11/h3-4,11,13-14H,1-2,5-8H2/b4-3-
InChIKeyQWAISPDLZZJTCA-ARJAWSKDSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.88
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 N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine?
The IUPAC name of N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine (CID 145284766) is N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine.
What is the SMILES notation for N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine?
The canonical SMILES for N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine is C=C(F)/C=C\C(=C)NC1CCNCC1.
What is the InChIKey of N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine?
The InChIKey is QWAISPDLZZJTCA-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9(12)3-4-10(2)14-11-5-7-13-8-6-11/h3-4,11,13-14H,1-2,5-8H2/b4-3-.
What are the key properties of N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine?
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine has a molecular weight of 196.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine is sourced from PubChem (CID 145284766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).