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

C13H22Cl2N2O — CID 23080544

IUPAC3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
SMILESCCC(c1cccc(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h3-5,10,13-14,16H,2,6-9H2,1H3;2*1H
InChIKeyWITAUAQOPMTHLW-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.59
Rot. Bonds3

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

3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride (PubChem CID 23080544) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride.

Molecular Properties

Compound Name3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
PubChem CID23080544
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
SMILESCCC(c1cccc(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h3-5,10,13-14,16H,2,6-9H2,1H3;2*1H
InChIKeyWITAUAQOPMTHLW-UHFFFAOYSA-N
XLogP2.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171285428
1-[1-(3-nitrophenyl)propyl]piperazine
CID 54914405
1-[(1R)-1-(3-nitrophenyl)propyl]piperazine
CID 93464473
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride?
The IUPAC name of 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride (CID 23080544) is 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride.
What is the SMILES notation for 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride?
The canonical SMILES for 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride is CCC(c1cccc(O)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride?
The InChIKey is WITAUAQOPMTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h3-5,10,13-14,16H,2,6-9H2,1H3;2*1H.
What are the key properties of 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride?
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride is sourced from PubChem (CID 23080544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).