(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride

C13H21Cl2N3O — CID 119826621

IUPAC(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCCN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11;;/h3-6H,2,7-10,14H2,1H3;2*1H
InChIKeyPHIPGMHDWDFANR-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.89
Rot. Bonds2

About (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride

(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119826621) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119826621
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
SMILESCCN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11;;/h3-6H,2,7-10,14H2,1H3;2*1H
InChIKeyPHIPGMHDWDFANR-UHFFFAOYSA-N
XLogP1.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride (CID 119826621) is (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride is CCN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is PHIPGMHDWDFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11;;/h3-6H,2,7-10,14H2,1H3;2*1H.
What are the key properties of (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride?
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119826621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).