N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide

C11H21N3O2 — CID 88996009

IUPACN'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide
SMILESN/C(=N\O)N1CCC([C@H]2C[C@H]2CCO)CC1
InChIInChI=1S/C11H21N3O2/c12-11(13-16)14-4-1-8(2-5-14)10-7-9(10)3-6-15/h8-10,15-16H,1-7H2,(H2,12,13)/t9-,10-/m1/s1
InChIKeyKEXRRHFGKDEYDB-NXEZZACHSA-N
MW227.31 g/mol
LogP0.42
Rot. Bonds3

About N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide

N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide (PubChem CID 88996009) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide
PubChem CID88996009
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide
SMILESN/C(=N\O)N1CCC([C@H]2C[C@H]2CCO)CC1
InChIInChI=1S/C11H21N3O2/c12-11(13-16)14-4-1-8(2-5-14)10-7-9(10)3-6-15/h8-10,15-16H,1-7H2,(H2,12,13)/t9-,10-/m1/s1
InChIKeyKEXRRHFGKDEYDB-NXEZZACHSA-N
XLogP0.42
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.42
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide (CID 88996009) is N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide is N/C(=N\O)N1CCC([C@H]2C[C@H]2CCO)CC1.
What is the InChIKey of N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide?
The InChIKey is KEXRRHFGKDEYDB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(13-16)14-4-1-8(2-5-14)10-7-9(10)3-6-15/h8-10,15-16H,1-7H2,(H2,12,13)/t9-,10-/m1/s1.
What are the key properties of N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide?
N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide is sourced from PubChem (CID 88996009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).