N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide

C14H28N4O2 — CID 77043492

IUPACN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
SMILESCC(C)N1CCOC(CN2CCC(C(N)=NO)CC2)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)18-7-8-20-13(10-18)9-17-5-3-12(4-6-17)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyANACQJSAZVSNNY-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.55
Rot. Bonds4

About N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide

N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide (PubChem CID 77043492) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
PubChem CID77043492
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
SMILESCC(C)N1CCOC(CN2CCC(C(N)=NO)CC2)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)18-7-8-20-13(10-18)9-17-5-3-12(4-6-17)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyANACQJSAZVSNNY-UHFFFAOYSA-N
XLogP0.55
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide (CID 77043492) is N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide is CC(C)N1CCOC(CN2CCC(C(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The InChIKey is ANACQJSAZVSNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-11(2)18-7-8-20-13(10-18)9-17-5-3-12(4-6-17)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide has a molecular weight of 284.40 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).