4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide

C14H23N5 — CID 62924758

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(CN(C)C)CC2)ccn1
InChIInChI=1S/C14H23N5/c1-18(2)10-11-4-7-19(8-5-11)12-3-6-17-13(9-12)14(15)16/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyHHFMBJVMWNCOOR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.14
Rot. Bonds4

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide (PubChem CID 62924758) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
PubChem CID62924758
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(CN(C)C)CC2)ccn1
InChIInChI=1S/C14H23N5/c1-18(2)10-11-4-7-19(8-5-11)12-3-6-17-13(9-12)14(15)16/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyHHFMBJVMWNCOOR-UHFFFAOYSA-N
XLogP1.14
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide (CID 62924758) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCC(CN(C)C)CC2)ccn1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is HHFMBJVMWNCOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18(2)10-11-4-7-19(8-5-11)12-3-6-17-13(9-12)14(15)16/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H3,15,16).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 62924758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).