1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine

C18H25F3N2O2 — CID 95973699

IUPAC1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)COc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)14-25-17-3-1-2-15(10-17)11-22-5-7-23(8-6-22)12-16-4-9-24-13-16/h1-3,10,16H,4-9,11-14H2/t16-/m1/s1
InChIKeyLHOSMTBMIXNJAO-MRXNPFEDSA-N
MW358.40 g/mol
LogP2.78
Rot. Bonds6

About 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine

1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine (PubChem CID 95973699) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine
PubChem CID95973699
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)COc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)14-25-17-3-1-2-15(10-17)11-22-5-7-23(8-6-22)12-16-4-9-24-13-16/h1-3,10,16H,4-9,11-14H2/t16-/m1/s1
InChIKeyLHOSMTBMIXNJAO-MRXNPFEDSA-N
XLogP2.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-sulfonamide
CID 47066558
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 120953620
(9aS)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124784718
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol
CID 171911651
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
CID 111111621
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715
4-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55922548
[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120772767
(4-benzylpiperazin-1-yl)-[3-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 19290787
1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 42691442
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 129372864

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine (CID 95973699) is 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine is FC(F)(F)COc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1.
What is the InChIKey of 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine?
The InChIKey is LHOSMTBMIXNJAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c19-18(20,21)14-25-17-3-1-2-15(10-17)11-22-5-7-23(8-6-22)12-16-4-9-24-13-16/h1-3,10,16H,4-9,11-14H2/t16-/m1/s1.
What are the key properties of 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine?
1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine has a molecular weight of 358.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 95973699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).