1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine

C20H22F4N2 — CID 170615246

IUPAC1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccc(C(F)F)cc2)c2ccc(C(F)F)cc2)CCN1
InChIInChI=1S/C20H22F4N2/c1-13-12-26(11-10-25-13)18(14-2-6-16(7-3-14)19(21)22)15-4-8-17(9-5-15)20(23)24/h2-9,13,18-20,25H,10-12H2,1H3
InChIKeyDOSBMRDIDPPHLP-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.94
Rot. Bonds5

About 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine

1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine (PubChem CID 170615246) has the molecular formula C20H22F4N2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
PubChem CID170615246
Molecular FormulaC20H22F4N2
Molecular Weight366.40 g/mol
Exact Mass366.17
IUPAC Name1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccc(C(F)F)cc2)c2ccc(C(F)F)cc2)CCN1
InChIInChI=1S/C20H22F4N2/c1-13-12-26(11-10-25-13)18(14-2-6-16(7-3-14)19(21)22)15-4-8-17(9-5-15)20(23)24/h2-9,13,18-20,25H,10-12H2,1H3
InChIKeyDOSBMRDIDPPHLP-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
(3R)-1-benzhydryl-3-methylpiperazine;[bromo(phenyl)methyl]benzene;methane;(2R)-2-methylpiperazine
CID 158734559
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511

Frequently Asked Questions

What is the IUPAC name of 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The IUPAC name of 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine (CID 170615246) is 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The canonical SMILES for 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine is CC1CN(C(c2ccc(C(F)F)cc2)c2ccc(C(F)F)cc2)CCN1.
What is the InChIKey of 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The InChIKey is DOSBMRDIDPPHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2/c1-13-12-26(11-10-25-13)18(14-2-6-16(7-3-14)19(21)22)15-4-8-17(9-5-15)20(23)24/h2-9,13,18-20,25H,10-12H2,1H3.
What are the key properties of 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine has a molecular weight of 366.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine is sourced from PubChem (CID 170615246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).