3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

C10H21N3O — CID 43590354

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCC(CO)C1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)5-13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyXORZZTYBWNJORJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.26
Rot. Bonds4

About 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 43590354) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID43590354
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCC(CO)C1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)5-13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyXORZZTYBWNJORJ-UHFFFAOYSA-N
XLogP0.26
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (CID 43590354) is 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is XORZZTYBWNJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(11)12)5-13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12).
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 43590354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).