2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide

C14H22N4O — CID 61176724

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC(CO)C1
InChIInChI=1S/C14H22N4O/c1-9-6-10(2)17-14(12(9)13(15)16)18-5-3-4-11(7-18)8-19/h6,11,19H,3-5,7-8H2,1-2H3,(H3,15,16)
InChIKeyQQZUQZKGYHXLRG-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide

2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61176724) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61176724
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC(CO)C1
InChIInChI=1S/C14H22N4O/c1-9-6-10(2)17-14(12(9)13(15)16)18-5-3-4-11(7-18)8-19/h6,11,19H,3-5,7-8H2,1-2H3,(H3,15,16)
InChIKeyQQZUQZKGYHXLRG-UHFFFAOYSA-N
XLogP1.19
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
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 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide (CID 61176724) is 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is QQZUQZKGYHXLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-6-10(2)17-14(12(9)13(15)16)18-5-3-4-11(7-18)8-19/h6,11,19H,3-5,7-8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61176724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).