N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide

C9H19N5O2 — CID 83034907

IUPACN-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(OCCO)CC1
InChIInChI=1S/C9H19N5O2/c10-8(11)13-9(12)14-3-1-7(2-4-14)16-6-5-15/h7,15H,1-6H2,(H5,10,11,12,13)
InChIKeySEQYUZVKASHYMG-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.33
Rot. Bonds3

About N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide

N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide (PubChem CID 83034907) has the molecular formula C9H19N5O2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
PubChem CID83034907
Molecular FormulaC9H19N5O2
Molecular Weight229.28 g/mol
Exact Mass229.15
IUPAC NameN-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(OCCO)CC1
InChIInChI=1S/C9H19N5O2/c10-8(11)13-9(12)14-3-1-7(2-4-14)16-6-5-15/h7,15H,1-6H2,(H5,10,11,12,13)
InChIKeySEQYUZVKASHYMG-UHFFFAOYSA-N
XLogP-1.33
TPSA120.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-4-ethoxypiperidine-1-carboximidamide
CID 83031921
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
CID 82696701
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
N'-cyclohexyl-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
CID 82691849
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
CID 123226101
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
CID 114679013
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 83036980
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
CID 82695564
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide (CID 83034907) is N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(OCCO)CC1.
What is the InChIKey of N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide?
The InChIKey is SEQYUZVKASHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2/c10-8(11)13-9(12)14-3-1-7(2-4-14)16-6-5-15/h7,15H,1-6H2,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide?
N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide has a molecular weight of 229.28 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 83034907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).