aniline;1-phenylpiperazine

C16H21N3 — CID 175572624

IUPACaniline;1-phenylpiperazine
SMILESNc1ccccc1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C6H7N/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;7-6-4-2-1-3-5-6/h1-5,11H,6-9H2;1-5H,7H2
InChIKeyHOZSTURIDJMNHX-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.37
Rot. Bonds1

About aniline;1-phenylpiperazine

aniline;1-phenylpiperazine (PubChem CID 175572624) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is aniline;1-phenylpiperazine.

Molecular Properties

Compound Nameaniline;1-phenylpiperazine
PubChem CID175572624
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Nameaniline;1-phenylpiperazine
SMILESNc1ccccc1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C6H7N/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;7-6-4-2-1-3-5-6/h1-5,11H,6-9H2;1-5H,7H2
InChIKeyHOZSTURIDJMNHX-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
3-(1,4-diazepan-1-yl)aniline
CID 22478590
aniline;piperazine
CID 162139088
magnesium;1-phenylpiperazine;propane;hydrobromide
CID 173457865
1-(4-phenoxyphenyl)piperazine
CID 3017356
1-(4-benzylphenyl)piperazine
CID 4738749
1-[3-[(E)-2-phenylethenyl]phenyl]piperazine
CID 56711809
pyrrolidine;4-pyrrolidin-1-ylaniline
CID 70136555
1-phenylimidazolidine;thiourea
CID 88707385
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
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CID 21333601

Frequently Asked Questions

What is the IUPAC name of aniline;1-phenylpiperazine?
The IUPAC name of aniline;1-phenylpiperazine (CID 175572624) is aniline;1-phenylpiperazine.
What is the SMILES notation for aniline;1-phenylpiperazine?
The canonical SMILES for aniline;1-phenylpiperazine is Nc1ccccc1.c1ccc(N2CCNCC2)cc1.
What is the InChIKey of aniline;1-phenylpiperazine?
The InChIKey is HOZSTURIDJMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C6H7N/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;7-6-4-2-1-3-5-6/h1-5,11H,6-9H2;1-5H,7H2.
What are the key properties of aniline;1-phenylpiperazine?
aniline;1-phenylpiperazine has a molecular weight of 255.37 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1-phenylpiperazine is sourced from PubChem (CID 175572624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).