(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride

C16H27ClF2N2O2Si — CID 171179973

IUPAC(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C16H26F2N2O2Si.ClH/c1-23(2,3)22-14-6-4-13(5-7-14)15(16(17,18)12-21)20-10-8-19-9-11-20;/h4-7,15,19,21H,8-12H2,1-3H3;1H/t15-;/m1./s1
InChIKeyWZVPGKPDWQFDKG-XFULWGLBSA-N
MW380.94 g/mol
LogP2.90
Rot. Bonds6

About (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride

(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171179973) has the molecular formula C16H27ClF2N2O2Si and a molecular weight of 380.94 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride
PubChem CID171179973
Molecular FormulaC16H27ClF2N2O2Si
Molecular Weight380.94 g/mol
Exact Mass380.15
IUPAC Name(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C16H26F2N2O2Si.ClH/c1-23(2,3)22-14-6-4-13(5-7-14)15(16(17,18)12-21)20-10-8-19-9-11-20;/h4-7,15,19,21H,8-12H2,1-3H3;1H/t15-;/m1./s1
InChIKeyWZVPGKPDWQFDKG-XFULWGLBSA-N
XLogP2.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
(3S)-3-[4-(difluoromethoxy)phenyl]-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176371
(3S)-2,2-difluoro-3-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171176910
(3R)-2,2-difluoro-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171178427
(3S)-2,2-difluoro-3-phenyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178859
(3S)-2,2-difluoro-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171175129
(3R)-2,2-difluoro-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171181034
(3S)-3-(4-ethylsulfanylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178104
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
(3S)-2,2-difluoro-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171177481
(3S)-3-(3,5-dimethoxyphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171175314
4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171174977

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride (CID 171179973) is (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride is C[Si](C)(C)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)CO)cc1.Cl.
What is the InChIKey of (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is WZVPGKPDWQFDKG-XFULWGLBSA-N. The full InChI is InChI=1S/C16H26F2N2O2Si.ClH/c1-23(2,3)22-14-6-4-13(5-7-14)15(16(17,18)12-21)20-10-8-19-9-11-20;/h4-7,15,19,21H,8-12H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride?
(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).