N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide

C13H25N5 — CID 176542314

IUPACN-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N/N=C\C)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H25N5/c1-2-16-17-13(14)11-5-9-18(10-6-11)12-3-7-15-8-4-12/h2,11-12,15H,3-10H2,1H3,(H2,14,17)/b16-2-
InChIKeyFITYYBJZZQERGN-CFZMTHNTSA-N
MW251.38 g/mol
LogP1.02
Rot. Bonds3

About N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide

N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide (PubChem CID 176542314) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide
PubChem CID176542314
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N/N=C\C)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H25N5/c1-2-16-17-13(14)11-5-9-18(10-6-11)12-3-7-15-8-4-12/h2,11-12,15H,3-10H2,1H3,(H2,14,17)/b16-2-
InChIKeyFITYYBJZZQERGN-CFZMTHNTSA-N
XLogP1.02
TPSA63.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide?
The IUPAC name of N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide (CID 176542314) is N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide is [H]/N=C(\N/N=C\C)C1CCN(C2CCNCC2)CC1.
What is the InChIKey of N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide?
The InChIKey is FITYYBJZZQERGN-CFZMTHNTSA-N. The full InChI is InChI=1S/C13H25N5/c1-2-16-17-13(14)11-5-9-18(10-6-11)12-3-7-15-8-4-12/h2,11-12,15H,3-10H2,1H3,(H2,14,17)/b16-2-.
What are the key properties of N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide?
N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide has a molecular weight of 251.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide is sourced from PubChem (CID 176542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).