1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide

C14H28N4 — CID 107912514

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C14H28N4/c1-17-8-3-2-6-13(17)7-10-18-9-4-5-12(11-18)14(15)16/h12-13H,2-11H2,1H3,(H3,15,16)
InChIKeyFIYWRUPKKKFODZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide

1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide (PubChem CID 107912514) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide
PubChem CID107912514
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C14H28N4/c1-17-8-3-2-6-13(17)7-10-18-9-4-5-12(11-18)14(15)16/h12-13H,2-11H2,1H3,(H3,15,16)
InChIKeyFIYWRUPKKKFODZ-UHFFFAOYSA-N
XLogP1.51
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.51
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 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide (CID 107912514) is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(CCC2CCCCN2C)C1.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide?
The InChIKey is FIYWRUPKKKFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-17-8-3-2-6-13(17)7-10-18-9-4-5-12(11-18)14(15)16/h12-13H,2-11H2,1H3,(H3,15,16).
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide?
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboximidamide is sourced from PubChem (CID 107912514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).