2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride

C15H24ClFN2O — CID 171168266

IUPAC2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
SMILESCC(C)(C)[C@H](c1cc(F)ccc1O)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)19;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVROVNIXTZDCQPA-UQKRIMTDSA-N
MW302.82 g/mol
LogP2.95
Rot. Bonds2

About 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride

2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride (PubChem CID 171168266) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
PubChem CID171168266
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC Name2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
SMILESCC(C)(C)[C@H](c1cc(F)ccc1O)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)19;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVROVNIXTZDCQPA-UQKRIMTDSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;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

2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171162985
4-fluoro-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171175019
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171163782
1-[(1S)-1-(4-fluoro-2-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171163582
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171164807
4-bromo-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171285517
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171168105
2-bromo-6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171298149
4-fluoro-2-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171303318
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171166690
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,5-difluorophenol;dihydrochloride
CID 171297670

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride (CID 171168266) is 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride is CC(C)(C)[C@H](c1cc(F)ccc1O)N1CCNCC1.Cl.
What is the InChIKey of 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride?
The InChIKey is VROVNIXTZDCQPA-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)19;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride?
2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171168266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).