N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride

C11H17Cl2N3O — CID 87987898

IUPACN-(3-piperazin-1-ylphenyl)formamide;dihydrochloride
SMILESCl.Cl.O=CNc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H15N3O.2ClH/c15-9-13-10-2-1-3-11(8-10)14-6-4-12-5-7-14;;/h1-3,8-9,12H,4-7H2,(H,13,15);2*1H
InChIKeyPUJKNCNWFSAOGA-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.51
Rot. Bonds3

About N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride

N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride (PubChem CID 87987898) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylphenyl)formamide;dihydrochloride
PubChem CID87987898
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC NameN-(3-piperazin-1-ylphenyl)formamide;dihydrochloride
SMILESCl.Cl.O=CNc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H15N3O.2ClH/c15-9-13-10-2-1-3-11(8-10)14-6-4-12-5-7-14;;/h1-3,8-9,12H,4-7H2,(H,13,15);2*1H
InChIKeyPUJKNCNWFSAOGA-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11849196
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CID 67416459
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110
3-(1,4-diazepan-1-yl)aniline
CID 22478590
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
4-(3-piperazin-1-ylphenyl)but-3-enal
CID 170482633
1-[3-[(E)-2-phenylethenyl]phenyl]piperazine
CID 56711809
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
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N-phenylformamide;pyrrolidine
CID 19102236

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride (CID 87987898) is N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride is Cl.Cl.O=CNc1cccc(N2CCNCC2)c1.
What is the InChIKey of N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride?
The InChIKey is PUJKNCNWFSAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c15-9-13-10-2-1-3-11(8-10)14-6-4-12-5-7-14;;/h1-3,8-9,12H,4-7H2,(H,13,15);2*1H.
What are the key properties of N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride?
N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride is sourced from PubChem (CID 87987898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).