(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide

C7H15N3O — CID 129496372

IUPAC(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC[C@H]1CO
InChIInChI=1S/C7H15N3O/c8-7(9)10-4-2-1-3-6(10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1
InChIKeyJJOIWBVRIGJSMO-LURJTMIESA-N
MW157.22 g/mol
LogP-0.27
Rot. Bonds1

About (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide

(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide (PubChem CID 129496372) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
PubChem CID129496372
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC[C@H]1CO
InChIInChI=1S/C7H15N3O/c8-7(9)10-4-2-1-3-6(10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1
InChIKeyJJOIWBVRIGJSMO-LURJTMIESA-N
XLogP-0.27
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.27
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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Related Compounds

2-(hydroxymethyl)piperidine-1-carboximidamide
CID 121201331
2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
butanedioic acid;2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 158527240
2-amino-3-(1-carbamimidoylpyrrolidin-2-yl)propanoic acid
CID 67170796
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-(1-aminoethyl)piperidine-1-carboximidamide
CID 18663754
2-methylpyrrolidine-1-carboximidamide
CID 60974504
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
2-[(2R)-1-carbamimidoylazetidin-2-yl]acetic acid
CID 118492948
2-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]sulfanylacetamide
CID 116636433
(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide;hydrobromide
CID 122163422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide?
The IUPAC name of (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide (CID 129496372) is (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide?
The InChIKey is JJOIWBVRIGJSMO-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)10-4-2-1-3-6(10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide?
(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 129496372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).