2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide

C14H21N5O — CID 76904193

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H21N5O/c15-13(17-20)12-2-1-5-16-14(12)19-8-6-18(7-9-19)10-11-3-4-11/h1-2,5,11,20H,3-4,6-10H2,(H2,15,17)
InChIKeyLGCGMLDEGYMARF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.71
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76904193) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76904193
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H21N5O/c15-13(17-20)12-2-1-5-16-14(12)19-8-6-18(7-9-19)10-11-3-4-11/h1-2,5,11,20H,3-4,6-10H2,(H2,15,17)
InChIKeyLGCGMLDEGYMARF-UHFFFAOYSA-N
XLogP0.71
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.71
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

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916110
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboximidamide
CID 107223209
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24693412
N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24698019
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54985539
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77020684
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938749
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77047411
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
2-bromo-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883165
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide (CID 76904193) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1cccnc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is LGCGMLDEGYMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-13(17-20)12-2-1-5-16-14(12)19-8-6-18(7-9-19)10-11-3-4-11/h1-2,5,11,20H,3-4,6-10H2,(H2,15,17).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 275.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76904193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).