(4-phenylpiperazin-2-yl)methanamine;trihydrochloride

C11H20Cl3N3 — CID 138393713

IUPAC(4-phenylpiperazin-2-yl)methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CN(c2ccccc2)CCN1
InChIInChI=1S/C11H17N3.3ClH/c12-8-10-9-14(7-6-13-10)11-4-2-1-3-5-11;;;/h1-5,10,13H,6-9,12H2;3*1H
InChIKeyJNYYEULTPAOTMU-UHFFFAOYSA-N
MW300.66 g/mol
LogP1.69
Rot. Bonds2

About (4-phenylpiperazin-2-yl)methanamine;trihydrochloride

(4-phenylpiperazin-2-yl)methanamine;trihydrochloride (PubChem CID 138393713) has the molecular formula C11H20Cl3N3 and a molecular weight of 300.66 g/mol. Its IUPAC name is (4-phenylpiperazin-2-yl)methanamine;trihydrochloride.

Molecular Properties

Compound Name(4-phenylpiperazin-2-yl)methanamine;trihydrochloride
PubChem CID138393713
Molecular FormulaC11H20Cl3N3
Molecular Weight300.66 g/mol
Exact Mass299.07
IUPAC Name(4-phenylpiperazin-2-yl)methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CN(c2ccccc2)CCN1
InChIInChI=1S/C11H17N3.3ClH/c12-8-10-9-14(7-6-13-10)11-4-2-1-3-5-11;;;/h1-5,10,13H,6-9,12H2;3*1H
InChIKeyJNYYEULTPAOTMU-UHFFFAOYSA-N
XLogP1.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-2-yl)methanamine;trihydrochloride?
The IUPAC name of (4-phenylpiperazin-2-yl)methanamine;trihydrochloride (CID 138393713) is (4-phenylpiperazin-2-yl)methanamine;trihydrochloride.
What is the SMILES notation for (4-phenylpiperazin-2-yl)methanamine;trihydrochloride?
The canonical SMILES for (4-phenylpiperazin-2-yl)methanamine;trihydrochloride is Cl.Cl.Cl.NCC1CN(c2ccccc2)CCN1.
What is the InChIKey of (4-phenylpiperazin-2-yl)methanamine;trihydrochloride?
The InChIKey is JNYYEULTPAOTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.3ClH/c12-8-10-9-14(7-6-13-10)11-4-2-1-3-5-11;;;/h1-5,10,13H,6-9,12H2;3*1H.
What are the key properties of (4-phenylpiperazin-2-yl)methanamine;trihydrochloride?
(4-phenylpiperazin-2-yl)methanamine;trihydrochloride has a molecular weight of 300.66 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-2-yl)methanamine;trihydrochloride is sourced from PubChem (CID 138393713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).