(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide

C7H15N3O — CID 67630035

IUPAC(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](CO)C1
InChIInChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1
InChIKeyYEVFLUKQHJTSMN-LURJTMIESA-N
MW157.22 g/mol
LogP-0.42
Rot. Bonds1

About (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide

(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide (PubChem CID 67630035) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide
PubChem CID67630035
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](CO)C1
InChIInChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1
InChIKeyYEVFLUKQHJTSMN-LURJTMIESA-N
XLogP-0.42
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 ≤ 5-0.42
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 (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide?
The IUPAC name of (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide (CID 67630035) is (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@H](CO)C1.
What is the InChIKey of (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide?
The InChIKey is YEVFLUKQHJTSMN-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide?
(3S)-3-(hydroxymethyl)piperidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 67630035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).