1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine

C18H18F5N3 — CID 171995648

IUPAC1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
SMILESFc1cc(F)cc(CN2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C18H18F5N3/c19-15-7-13(8-16(20)9-15)11-25-3-5-26(6-4-25)12-17-2-1-14(10-24-17)18(21,22)23/h1-2,7-10H,3-6,11-12H2
InChIKeyAKFVNMLQCPNIOS-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.70
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine

1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine (PubChem CID 171995648) has the molecular formula C18H18F5N3 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
PubChem CID171995648
Molecular FormulaC18H18F5N3
Molecular Weight371.35 g/mol
Exact Mass371.14
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
SMILESFc1cc(F)cc(CN2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C18H18F5N3/c19-15-7-13(8-16(20)9-15)11-25-3-5-26(6-4-25)12-17-2-1-14(10-24-17)18(21,22)23/h1-2,7-10H,3-6,11-12H2
InChIKeyAKFVNMLQCPNIOS-UHFFFAOYSA-N
XLogP3.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-3-pyridinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171994100
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
CID 171334705
[4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-10-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid
CID 162536612
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
CID 171327302
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 141286639
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
4-(2H-triazol-4-ylmethyl)-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 166291044
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine (CID 171995648) is 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine is Fc1cc(F)cc(CN2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine?
The InChIKey is AKFVNMLQCPNIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N3/c19-15-7-13(8-16(20)9-15)11-25-3-5-26(6-4-25)12-17-2-1-14(10-24-17)18(21,22)23/h1-2,7-10H,3-6,11-12H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine?
1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine has a molecular weight of 371.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine is sourced from PubChem (CID 171995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).