3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide

C9H19N3O — CID 43590350

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCCC(CO)C1
InChIInChI=1S/C9H19N3O/c10-9(11)3-5-12-4-1-2-8(6-12)7-13/h8,13H,1-7H2,(H3,10,11)
InChIKeyMSJXOWZKTRNCTN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds4

About 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide

3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide (PubChem CID 43590350) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
PubChem CID43590350
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCCC(CO)C1
InChIInChI=1S/C9H19N3O/c10-9(11)3-5-12-4-1-2-8(6-12)7-13/h8,13H,1-7H2,(H3,10,11)
InChIKeyMSJXOWZKTRNCTN-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.02
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-N'-hydroxy-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol
CID 54154578
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol;hydrochloride
CID 67741134
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
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
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43403421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide (CID 43590350) is 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The InChIKey is MSJXOWZKTRNCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-9(11)3-5-12-4-1-2-8(6-12)7-13/h8,13H,1-7H2,(H3,10,11).
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide?
3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.02, 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]propanimidamide is sourced from PubChem (CID 43590350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).