1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine

C20H24F2N2 — CID 20794534

IUPAC1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H24F2N2/c1-14(2)19-13-24(12-11-23-19)20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,14,19-20,23H,11-13H2,1-2H3
InChIKeyZWYIOZMZQIPSNL-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.98
Rot. Bonds4

About 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine

1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine (PubChem CID 20794534) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
PubChem CID20794534
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H24F2N2/c1-14(2)19-13-24(12-11-23-19)20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,14,19-20,23H,11-13H2,1-2H3
InChIKeyZWYIOZMZQIPSNL-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
CID 64954587
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
CID 64951915
1-(4-fluoro-2-iodophenyl)-3-propan-2-yl-1,4-diazepane
CID 79771327
(2S)-2-(3,4-dimethoxyphenyl)-2-(3-propan-2-ylpiperazin-1-yl)acetaldehyde
CID 87727301
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
CID 115299896
1-(3-ethylpentan-2-yl)-3-propan-2-ylpiperazine
CID 64953423

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine (CID 20794534) is 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine is CC(C)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is ZWYIOZMZQIPSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c1-14(2)19-13-24(12-11-23-19)20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,14,19-20,23H,11-13H2,1-2H3.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine?
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 330.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 20794534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).