(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride

C8H14FN3 — CID 139358115

IUPAC(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)C1CCCNC1
InChIInChI=1S/C8H14FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h4,6,11-12H,1-3,5,10H2/b7-4-,11-8-
InChIKeyHDCBEXMXBPBYFA-XGBXBTFKSA-N
MW171.22 g/mol
LogP0.78
Rot. Bonds2

About (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride

(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride (PubChem CID 139358115) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride
PubChem CID139358115
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)C1CCCNC1
InChIInChI=1S/C8H14FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h4,6,11-12H,1-3,5,10H2/b7-4-,11-8-
InChIKeyHDCBEXMXBPBYFA-XGBXBTFKSA-N
XLogP0.78
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride (CID 139358115) is (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride is [H]/N=C(F)/C(=C\N)C1CCCNC1.
What is the InChIKey of (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride?
The InChIKey is HDCBEXMXBPBYFA-XGBXBTFKSA-N. The full InChI is InChI=1S/C8H14FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h4,6,11-12H,1-3,5,10H2/b7-4-,11-8-.
What are the key properties of (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride?
(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride has a molecular weight of 171.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride is sourced from PubChem (CID 139358115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).