4-(2-hydroxyethyl)piperidine-1-carboximidamide

C8H17N3O — CID 3056393

IUPAC4-(2-hydroxyethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCO)CC1
InChIInChI=1S/C8H17N3O/c9-8(10)11-4-1-7(2-5-11)3-6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeySDMVZBFFDFADJN-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.03
Rot. Bonds2

About 4-(2-hydroxyethyl)piperidine-1-carboximidamide

4-(2-hydroxyethyl)piperidine-1-carboximidamide (PubChem CID 3056393) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)piperidine-1-carboximidamide
PubChem CID3056393
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(2-hydroxyethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCO)CC1
InChIInChI=1S/C8H17N3O/c9-8(10)11-4-1-7(2-5-11)3-6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeySDMVZBFFDFADJN-UHFFFAOYSA-N
XLogP-0.03
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 4-(2-hydroxyethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyethyl)piperidine-1-carboximidamide (CID 3056393) is 4-(2-hydroxyethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)piperidine-1-carboximidamide?
The InChIKey is SDMVZBFFDFADJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10)11-4-1-7(2-5-11)3-6-12/h7,12H,1-6H2,(H3,9,10).
What are the key properties of 4-(2-hydroxyethyl)piperidine-1-carboximidamide?
4-(2-hydroxyethyl)piperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 3056393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).