2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine

C9H16N4O — CID 172590330

IUPAC2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H16N4O/c1-7(14)13-5-3-8(4-6-13)12-9(10)11-2/h8H,2-6H2,1H3,(H2,10,12)
InChIKeyBPTWVWYZSMQIBQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.01
Rot. Bonds1

About 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine

2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine (PubChem CID 172590330) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine
PubChem CID172590330
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H16N4O/c1-7(14)13-5-3-8(4-6-13)12-9(10)11-2/h8H,2-6H2,1H3,(H2,10,12)
InChIKeyBPTWVWYZSMQIBQ-UHFFFAOYSA-N
XLogP0.01
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
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 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine (CID 172590330) is 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine is C=N/C(N)=N\C1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine?
The InChIKey is BPTWVWYZSMQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(14)13-5-3-8(4-6-13)12-9(10)11-2/h8H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine?
2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine has a molecular weight of 196.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-methylideneguanidine is sourced from PubChem (CID 172590330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).