amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium

C14H26N5O+ — CID 166081366

IUPACamino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium
SMILESC[N+](C)(N)c1cccc(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C14H26N5O/c1-19(2,16)13-5-3-4-12(14(13)15)18-8-6-17(7-9-18)10-11-20/h3-5,20H,6-11,15-16H2,1-2H3/q+1
InChIKeyLYNGXNCIZKVDCQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP-0.18
Rot. Bonds4

About amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium

amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium (PubChem CID 166081366) has the molecular formula C14H26N5O+ and a molecular weight of 280.40 g/mol. Its IUPAC name is amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium.

Molecular Properties

Compound Nameamino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium
PubChem CID166081366
Molecular FormulaC14H26N5O+
Molecular Weight280.40 g/mol
Exact Mass280.21
IUPAC Nameamino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium
SMILESC[N+](C)(N)c1cccc(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C14H26N5O/c1-19(2,16)13-5-3-4-12(14(13)15)18-8-6-17(7-9-18)10-11-20/h3-5,20H,6-11,15-16H2,1-2H3/q+1
InChIKeyLYNGXNCIZKVDCQ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61150559
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 43592118
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
CID 10683038
2-[4-(3-amino-2-nitrophenyl)-1,4-diazepan-1-yl]ethanol
CID 107226740
2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288

Frequently Asked Questions

What is the IUPAC name of amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium?
The IUPAC name of amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium (CID 166081366) is amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium.
What is the SMILES notation for amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium?
The canonical SMILES for amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium is C[N+](C)(N)c1cccc(N2CCN(CCO)CC2)c1N.
What is the InChIKey of amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium?
The InChIKey is LYNGXNCIZKVDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N5O/c1-19(2,16)13-5-3-4-12(14(13)15)18-8-6-17(7-9-18)10-11-20/h3-5,20H,6-11,15-16H2,1-2H3/q+1.
What are the key properties of amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium?
amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium has a molecular weight of 280.40 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-dimethylazanium is sourced from PubChem (CID 166081366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).