4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide

C12H23N5O — CID 90084970

IUPAC4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H23N5O/c1-15-6-8-16(9-7-15)11(18)10-2-4-17(5-3-10)12(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyUZJLOPYONOQMCT-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.63
Rot. Bonds1

About 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide

4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide (PubChem CID 90084970) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide
PubChem CID90084970
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H23N5O/c1-15-6-8-16(9-7-15)11(18)10-2-4-17(5-3-10)12(13)14/h10H,2-9H2,1H3,(H3,13,14)
InChIKeyUZJLOPYONOQMCT-UHFFFAOYSA-N
XLogP-0.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.63
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 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide (CID 90084970) is 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide?
The InChIKey is UZJLOPYONOQMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-15-6-8-16(9-7-15)11(18)10-2-4-17(5-3-10)12(13)14/h10H,2-9H2,1H3,(H3,13,14).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide?
4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide has a molecular weight of 253.35 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboximidamide is sourced from PubChem (CID 90084970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).