N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide

C9H15N3 — CID 90453379

IUPACN-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C/C1CCNCC1
InChIInChI=1S/C9H15N3/c10-8-12-5-1-2-9-3-6-11-7-4-9/h1-2,5,8-11H,3-4,6-7H2/b2-1+,10-8+,12-5+
InChIKeyHGVYEAKOHUJEGC-RHDOZRNISA-N
MW165.24 g/mol
LogP1.22
Rot. Bonds3

About N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide

N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide (PubChem CID 90453379) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide
PubChem CID90453379
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C/C1CCNCC1
InChIInChI=1S/C9H15N3/c10-8-12-5-1-2-9-3-6-11-7-4-9/h1-2,5,8-11H,3-4,6-7H2/b2-1+,10-8+,12-5+
InChIKeyHGVYEAKOHUJEGC-RHDOZRNISA-N
XLogP1.22
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide?
The IUPAC name of N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide (CID 90453379) is N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide?
The canonical SMILES for N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide is [H]/N=C/N=C/C=C/C1CCNCC1.
What is the InChIKey of N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide?
The InChIKey is HGVYEAKOHUJEGC-RHDOZRNISA-N. The full InChI is InChI=1S/C9H15N3/c10-8-12-5-1-2-9-3-6-11-7-4-9/h1-2,5,8-11H,3-4,6-7H2/b2-1+,10-8+,12-5+.
What are the key properties of N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide?
N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-piperidin-4-ylprop-2-enylidene]methanimidamide is sourced from PubChem (CID 90453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).