2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride

C12H19Cl2N3O2 — CID 19099001

IUPAC2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.O=Nc1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C12H17N3O2.2ClH/c16-10-9-14-5-7-15(8-6-14)12-3-1-11(13-17)2-4-12;;/h1-4,16H,5-10H2;2*1H
InChIKeyHNVFTCHEVQGQGA-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride

2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 19099001) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride
PubChem CID19099001
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC Name2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.O=Nc1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C12H17N3O2.2ClH/c16-10-9-14-5-7-15(8-6-14)12-3-1-11(13-17)2-4-12;;/h1-4,16H,5-10H2;2*1H
InChIKeyHNVFTCHEVQGQGA-UHFFFAOYSA-N
XLogP2.04
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonic acid
CID 22147110
ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate
CID 141462243
2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61151230
3-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol;methane
CID 161020265
2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol
CID 175001493
2-[4-(3-amino-4-methylsulfonylphenyl)piperazin-1-yl]ethanol
CID 53408978
2-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 104500037
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylbenzenesulfonamide
CID 63310106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride (CID 19099001) is 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.O=Nc1ccc(N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is HNVFTCHEVQGQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.2ClH/c16-10-9-14-5-7-15(8-6-14)12-3-1-11(13-17)2-4-12;;/h1-4,16H,5-10H2;2*1H.
What are the key properties of 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride?
2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 19099001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).