4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide

C14H22N4 — CID 107162142

IUPAC4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C14H22N4/c1-11-4-3-7-17-12(11)10-18-8-5-14(2,6-9-18)13(15)16/h3-4,7H,5-6,8-10H2,1-2H3,(H3,15,16)
InChIKeyMBPVLGAUFWUUAW-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.93
Rot. Bonds3

About 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide

4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide (PubChem CID 107162142) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
PubChem CID107162142
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C14H22N4/c1-11-4-3-7-17-12(11)10-18-8-5-14(2,6-9-18)13(15)16/h3-4,7H,5-6,8-10H2,1-2H3,(H3,15,16)
InChIKeyMBPVLGAUFWUUAW-UHFFFAOYSA-N
XLogP1.93
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.93
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-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide (CID 107162142) is 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2ncccc2C)CC1.
What is the InChIKey of 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The InChIKey is MBPVLGAUFWUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-4-3-7-17-12(11)10-18-8-5-14(2,6-9-18)13(15)16/h3-4,7H,5-6,8-10H2,1-2H3,(H3,15,16).
What are the key properties of 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107162142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).