N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide

C15H28N4 — CID 129095363

IUPACN'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide
SMILESCCC=C/N=C(\N)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H28N4/c1-2-3-8-18-15(16)13-6-11-19(12-7-13)14-4-9-17-10-5-14/h3,8,13-14,17H,2,4-7,9-12H2,1H3,(H2,16,18)
InChIKeyFJPMEPBMEBAADM-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.73
Rot. Bonds4

About N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide

N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide (PubChem CID 129095363) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide
PubChem CID129095363
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide
SMILESCCC=C/N=C(\N)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H28N4/c1-2-3-8-18-15(16)13-6-11-19(12-7-13)14-4-9-17-10-5-14/h3,8,13-14,17H,2,4-7,9-12H2,1H3,(H2,16,18)
InChIKeyFJPMEPBMEBAADM-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide?
The IUPAC name of N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide (CID 129095363) is N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide.
What is the SMILES notation for N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide?
The canonical SMILES for N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide is CCC=C/N=C(\N)C1CCN(C2CCNCC2)CC1.
What is the InChIKey of N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide?
The InChIKey is FJPMEPBMEBAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-3-8-18-15(16)13-6-11-19(12-7-13)14-4-9-17-10-5-14/h3,8,13-14,17H,2,4-7,9-12H2,1H3,(H2,16,18).
What are the key properties of N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide?
N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide has a molecular weight of 264.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enyl-1-piperidin-4-ylpiperidine-4-carboximidamide is sourced from PubChem (CID 129095363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).