N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide

C13H25N3O2 — CID 106836102

IUPACN'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESCC(O)C1CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-10(17)11-2-6-16(7-3-11)9-13(4-5-13)8-12(14)15-18/h10-11,17-18H,2-9H2,1H3,(H2,14,15)
InChIKeyVLQCNBXKIAEXPU-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.00
Rot. Bonds5

About N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 106836102) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID106836102
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESCC(O)C1CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-10(17)11-2-6-16(7-3-11)9-13(4-5-13)8-12(14)15-18/h10-11,17-18H,2-9H2,1H3,(H2,14,15)
InChIKeyVLQCNBXKIAEXPU-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
CID 163960989
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43368029
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 61434659
N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524530
2-[1-[[4-(Hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 65493341
2-[1-[(4-Hydroxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494369
2-[1-[(3-Hydroxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494590
2-[1-[[(3-Hydroxycyclobutyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 65981016

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 106836102) is N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide is CC(O)C1CCN(CC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is VLQCNBXKIAEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(17)11-2-6-16(7-3-11)9-13(4-5-13)8-12(14)15-18/h10-11,17-18H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 106836102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).