3-(piperazin-1-ylmethyl)phenol;dihydrochloride

C11H18Cl2N2O — CID 23023150

IUPAC3-(piperazin-1-ylmethyl)phenol;dihydrochloride
SMILESCl.Cl.Oc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H16N2O.2ClH/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;;/h1-3,8,12,14H,4-7,9H2;2*1H
InChIKeyFLUYZYDTVFUGFT-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.64
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)phenol;dihydrochloride

3-(piperazin-1-ylmethyl)phenol;dihydrochloride (PubChem CID 23023150) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)phenol;dihydrochloride.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)phenol;dihydrochloride
PubChem CID23023150
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name3-(piperazin-1-ylmethyl)phenol;dihydrochloride
SMILESCl.Cl.Oc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H16N2O.2ClH/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;;/h1-3,8,12,14H,4-7,9H2;2*1H
InChIKeyFLUYZYDTVFUGFT-UHFFFAOYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)phenol;dihydrochloride?
The IUPAC name of 3-(piperazin-1-ylmethyl)phenol;dihydrochloride (CID 23023150) is 3-(piperazin-1-ylmethyl)phenol;dihydrochloride.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)phenol;dihydrochloride?
The canonical SMILES for 3-(piperazin-1-ylmethyl)phenol;dihydrochloride is Cl.Cl.Oc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)phenol;dihydrochloride?
The InChIKey is FLUYZYDTVFUGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.2ClH/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;;/h1-3,8,12,14H,4-7,9H2;2*1H.
What are the key properties of 3-(piperazin-1-ylmethyl)phenol;dihydrochloride?
3-(piperazin-1-ylmethyl)phenol;dihydrochloride has a molecular weight of 265.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)phenol;dihydrochloride is sourced from PubChem (CID 23023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).