N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine

C14H18FN3 — CID 142938194

IUPACN-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine
SMILESC=N/C(=C\NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-16-14(11-2-4-12(15)5-3-11)10-18-13-6-8-17-9-7-13/h2-5,10,13,17-18H,1,6-9H2/b14-10-
InChIKeyGAZCCSIGHFEFOQ-UVTDQMKNSA-N
MW247.32 g/mol
LogP2.17
Rot. Bonds4

About N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine

N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine (PubChem CID 142938194) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine
PubChem CID142938194
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine
SMILESC=N/C(=C\NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-16-14(11-2-4-12(15)5-3-11)10-18-13-6-8-17-9-7-13/h2-5,10,13,17-18H,1,6-9H2/b14-10-
InChIKeyGAZCCSIGHFEFOQ-UVTDQMKNSA-N
XLogP2.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine?
The IUPAC name of N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine (CID 142938194) is N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine.
What is the SMILES notation for N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine?
The canonical SMILES for N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine is C=N/C(=C\NC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine?
The InChIKey is GAZCCSIGHFEFOQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H18FN3/c1-16-14(11-2-4-12(15)5-3-11)10-18-13-6-8-17-9-7-13/h2-5,10,13,17-18H,1,6-9H2/b14-10-.
What are the key properties of N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine?
N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine has a molecular weight of 247.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]piperidin-4-amine is sourced from PubChem (CID 142938194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).