(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide

C7H15N3O — CID 54195403

IUPAC(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCN(C)C[C@@H]1O
InChIInChI=1S/C7H15N3O/c1-10-3-2-5(7(8)9)6(11)4-10/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6-/m0/s1
InChIKeyPLLJMYMVSZAONA-WDSKDSINSA-N
MW157.22 g/mol
LogP-0.77
Rot. Bonds1

About (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide

(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide (PubChem CID 54195403) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
PubChem CID54195403
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCN(C)C[C@@H]1O
InChIInChI=1S/C7H15N3O/c1-10-3-2-5(7(8)9)6(11)4-10/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6-/m0/s1
InChIKeyPLLJMYMVSZAONA-WDSKDSINSA-N
XLogP-0.77
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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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Related Compounds

3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
4-Carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
CID 22126727
4-Carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid;hydroiodide
CID 87931359
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-[4-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133191
3-(4-Hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43368002
3-[4-(Hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368124
3-(3-Hydroxypiperidin-1-yl)propanimidamide
CID 61434759
4-(3-Hydroxypiperidin-1-yl)butanimidamide
CID 61434760
3-(3-Hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 61434809
5-[4-(Hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61521371
5-(3-Hydroxypiperidin-1-yl)pentanimidamide
CID 61524843

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide?
The IUPAC name of (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide (CID 54195403) is (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide.
What is the SMILES notation for (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide?
The canonical SMILES for (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide is [H]/N=C(\N)[C@H]1CCN(C)C[C@@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide?
The InChIKey is PLLJMYMVSZAONA-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10-3-2-5(7(8)9)6(11)4-10/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6-/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide?
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 54195403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).