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

C15H24ClFN2O — CID 171168105

IUPAC4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
SMILESCC(C)(C)[C@H](c1ccc(O)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)11-4-5-13(19)12(16)10-11;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1
InChIKeyBPDZKAXGNBDWDA-UQKRIMTDSA-N
MW302.82 g/mol
LogP2.95
Rot. Bonds2

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

4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride (PubChem CID 171168105) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
PubChem CID171168105
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC Name4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
SMILESCC(C)(C)[C@H](c1ccc(O)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)11-4-5-13(19)12(16)10-11;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1
InChIKeyBPDZKAXGNBDWDA-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

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Related Compounds

4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171174977
1-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280114
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171169028
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,5-difluorophenol;dihydrochloride
CID 171297670
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
CID 171168266
5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
CID 171273410
1-[(1S)-1-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropyl]piperazine
CID 171164988
1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171162985
2-fluoro-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162839

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride (CID 171168105) is 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride is CC(C)(C)[C@H](c1ccc(O)c(F)c1)N1CCNCC1.Cl.
What is the InChIKey of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride?
The InChIKey is BPDZKAXGNBDWDA-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-15(2,3)14(18-8-6-17-7-9-18)11-4-5-13(19)12(16)10-11;/h4-5,10,14,17,19H,6-9H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride?
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-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 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 171168105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).