N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide

C14H28N4O2 — CID 77043491

IUPACN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide
SMILESCC(C)N1CCOC(CN2CCCC(C(N)=NO)C2)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)18-6-7-20-13(10-18)9-17-5-3-4-12(8-17)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyVOQHFCKAXRKZRT-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.55
Rot. Bonds4

About N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide

N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide (PubChem CID 77043491) 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-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide
PubChem CID77043491
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide
SMILESCC(C)N1CCOC(CN2CCCC(C(N)=NO)C2)C1
InChIInChI=1S/C14H28N4O2/c1-11(2)18-6-7-20-13(10-18)9-17-5-3-4-12(8-17)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyVOQHFCKAXRKZRT-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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Related Compounds

CID 43174984
CID 43174984
CID 43367750
CID 43367750
CID 43544637
CID 43544637
CID 43544639
CID 43544639
CID 43562714
CID 43562714
CID 43592867
CID 43592867
CID 54984964
CID 54984964
CID 54984965
CID 54984965
CID 54984966
CID 54984966
CID 54985013
CID 54985013
CID 61424243
CID 61424243
CID 61524780
CID 61524780

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide (CID 77043491) is N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide is CC(C)N1CCOC(CN2CCCC(C(N)=NO)C2)C1.
What is the InChIKey of N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-carboximidamide?
The InChIKey is VOQHFCKAXRKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-11(2)18-6-7-20-13(10-18)9-17-5-3-4-12(8-17)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-3-carboximidamide?
N'-hydroxy-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-3-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-3-carboximidamide is sourced from PubChem (CID 77043491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).