1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride

C16H27Cl2FN2O — CID 171283231

IUPAC1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
SMILESCC(C)(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H25FN2O.2ClH/c1-16(2,3)20-14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;;/h4-7,15,18H,8-12H2,1-3H3;2*1H/t15-;;/m0../s1
InChIKeyLDXMTOZUXBMFJC-CKUXDGONSA-N
MW353.31 g/mol
LogP3.62
Rot. Bonds4

About 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride

1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride (PubChem CID 171283231) has the molecular formula C16H27Cl2FN2O and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
PubChem CID171283231
Molecular FormulaC16H27Cl2FN2O
Molecular Weight353.31 g/mol
Exact Mass352.15
IUPAC Name1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
SMILESCC(C)(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H25FN2O.2ClH/c1-16(2,3)20-14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;;/h4-7,15,18H,8-12H2,1-3H3;2*1H/t15-;;/m0../s1
InChIKeyLDXMTOZUXBMFJC-CKUXDGONSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride 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

1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171172767
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171167509
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride (CID 171283231) is 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride is CC(C)(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride?
The InChIKey is LDXMTOZUXBMFJC-CKUXDGONSA-N. The full InChI is InChI=1S/C16H25FN2O.2ClH/c1-16(2,3)20-14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;;/h4-7,15,18H,8-12H2,1-3H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride?
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride has a molecular weight of 353.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).