(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride

C18H21ClF2N2 — CID 162512220

IUPAC(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H20F2N2.ClH/c1-13-12-21-10-11-22(13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;/h2-9,13,18,21H,10-12H2,1H3;1H/t13-;/m0./s1
InChIKeyZTRNRBRIXFIACO-ZOWNYOTGSA-N
MW338.83 g/mol
LogP3.77
Rot. Bonds3

About (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride

(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 162512220) has the molecular formula C18H21ClF2N2 and a molecular weight of 338.83 g/mol. Its IUPAC name is (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID162512220
Molecular FormulaC18H21ClF2N2
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H20F2N2.ClH/c1-13-12-21-10-11-22(13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;/h2-9,13,18,21H,10-12H2,1H3;1H/t13-;/m0./s1
InChIKeyZTRNRBRIXFIACO-ZOWNYOTGSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride (CID 162512220) is (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride is C[C@H]1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1.Cl.
What is the InChIKey of (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is ZTRNRBRIXFIACO-ZOWNYOTGSA-N. The full InChI is InChI=1S/C18H20F2N2.ClH/c1-13-12-21-10-11-22(13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;/h2-9,13,18,21H,10-12H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 338.83 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 162512220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).