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

C10H21N3O — CID 61406962

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCCC1CO
InChIInChI=1S/C10H21N3O/c1-8(6-10(11)12)13-5-3-2-4-9(13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyNUNQAVOBQHVCBW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds4

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

3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 61406962) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
PubChem CID61406962
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCCC1CO
InChIInChI=1S/C10H21N3O/c1-8(6-10(11)12)13-5-3-2-4-9(13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyNUNQAVOBQHVCBW-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide (CID 61406962) is 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is NUNQAVOBQHVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(6-10(11)12)13-5-3-2-4-9(13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12).
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 61406962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).