4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride

C15H23ClF2N2O3 — CID 171178730

IUPAC4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N2CCNCC2)C(F)(F)CO)ccc1O.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-2-22-13-9-11(3-4-12(13)21)14(15(16,17)10-20)19-7-5-18-6-8-19;/h3-4,9,14,18,20-21H,2,5-8,10H2,1H3;1H/t14-;/m1./s1
InChIKeyHCBYHKWTCKMOTM-PFEQFJNWSA-N
MW352.81 g/mol
LogP1.79
Rot. Bonds6

About 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride

4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171178730) has the molecular formula C15H23ClF2N2O3 and a molecular weight of 352.81 g/mol. Its IUPAC name is 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
PubChem CID171178730
Molecular FormulaC15H23ClF2N2O3
Molecular Weight352.81 g/mol
Exact Mass352.14
IUPAC Name4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N2CCNCC2)C(F)(F)CO)ccc1O.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-2-22-13-9-11(3-4-12(13)21)14(15(16,17)10-20)19-7-5-18-6-8-19;/h3-4,9,14,18,20-21H,2,5-8,10H2,1H3;1H/t14-;/m1./s1
InChIKeyHCBYHKWTCKMOTM-PFEQFJNWSA-N
XLogP1.79
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171177632
4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171174977
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
2-chloro-4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171175626
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
2-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-6-ethoxyphenol;hydrochloride
CID 171178098
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2-ethoxyphenol;hydrochloride
CID 171246598
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
(3S)-2,2-difluoro-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171175129
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
(3S)-3-(4-ethylsulfanylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178104

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride (CID 171178730) is 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride is CCOc1cc([C@@H](N2CCNCC2)C(F)(F)CO)ccc1O.Cl.
What is the InChIKey of 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is HCBYHKWTCKMOTM-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H22F2N2O3.ClH/c1-2-22-13-9-11(3-4-12(13)21)14(15(16,17)10-20)19-7-5-18-6-8-19;/h3-4,9,14,18,20-21H,2,5-8,10H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride?
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171178730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).