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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Launch Full Analysis

Related Compounds

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
CID 139373459
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
CID 139383870
(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
CID 167025559
3-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866402
5-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866407
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126

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).