(3-piperazin-1-ylphenyl)methanamine

C11H17N3 — CID 83775094

IUPAC(3-piperazin-1-ylphenyl)methanamine
SMILESNCc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H17N3/c12-9-10-2-1-3-11(8-10)14-6-4-13-5-7-14/h1-3,8,13H,4-7,9,12H2
InChIKeyGLCXJDAMVKPTRX-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.55
Rot. Bonds2

About (3-piperazin-1-ylphenyl)methanamine

(3-piperazin-1-ylphenyl)methanamine (PubChem CID 83775094) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3-piperazin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-piperazin-1-ylphenyl)methanamine
PubChem CID83775094
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3-piperazin-1-ylphenyl)methanamine
SMILESNCc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H17N3/c12-9-10-2-1-3-11(8-10)14-6-4-13-5-7-14/h1-3,8,13H,4-7,9,12H2
InChIKeyGLCXJDAMVKPTRX-UHFFFAOYSA-N
XLogP0.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
methyl 2-amino-3-(3-piperazin-1-ylphenyl)propanoate
CID 170883739
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
3-(1,4-diazepan-1-yl)aniline
CID 22478590
[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
CID 174498888
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997

Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylphenyl)methanamine?
The IUPAC name of (3-piperazin-1-ylphenyl)methanamine (CID 83775094) is (3-piperazin-1-ylphenyl)methanamine.
What is the SMILES notation for (3-piperazin-1-ylphenyl)methanamine?
The canonical SMILES for (3-piperazin-1-ylphenyl)methanamine is NCc1cccc(N2CCNCC2)c1.
What is the InChIKey of (3-piperazin-1-ylphenyl)methanamine?
The InChIKey is GLCXJDAMVKPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-9-10-2-1-3-11(8-10)14-6-4-13-5-7-14/h1-3,8,13H,4-7,9,12H2.
What are the key properties of (3-piperazin-1-ylphenyl)methanamine?
(3-piperazin-1-ylphenyl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylphenyl)methanamine is sourced from PubChem (CID 83775094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).