N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide

C9H21N5O — CID 104881892

IUPACN'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)(O)CN1CCN(C(N)=NN)CC1
InChIInChI=1S/C9H21N5O/c1-9(2,15)7-13-3-5-14(6-4-13)8(10)12-11/h15H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyUCIMVCWNVXSSOM-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.44
Rot. Bonds2

About N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide

N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 104881892) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide
PubChem CID104881892
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)(O)CN1CCN(C(N)=NN)CC1
InChIInChI=1S/C9H21N5O/c1-9(2,15)7-13-3-5-14(6-4-13)8(10)12-11/h15H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyUCIMVCWNVXSSOM-UHFFFAOYSA-N
XLogP-1.44
TPSA91.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-tert-butylpiperazine-1-carboximidamide
CID 77053990
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
CID 77033006
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
N'-aminoazetidine-1-carboximidamide
CID 77052778
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]but-2-yn-1-one
CID 106741463
N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
CID 79159489
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82689328
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide
CID 77054107

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide (CID 104881892) is N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide is CC(C)(O)CN1CCN(C(N)=NN)CC1.
What is the InChIKey of N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is UCIMVCWNVXSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-9(2,15)7-13-3-5-14(6-4-13)8(10)12-11/h15H,3-7,11H2,1-2H3,(H2,10,12).
What are the key properties of N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide?
N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 215.30 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104881892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).