N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine

C23H29F3N4O — CID 126539749

IUPACN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2(N3CCN(Cc4ccccc4)CC3)CCOCC2)n1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)20-7-4-8-21(28-20)27-18-22(9-15-31-16-10-22)30-13-11-29(12-14-30)17-19-5-2-1-3-6-19/h1-8H,9-18H2,(H,27,28)
InChIKeyQILJITGXLVMQIJ-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.88
Rot. Bonds6

About N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 126539749) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID126539749
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC NameN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2(N3CCN(Cc4ccccc4)CC3)CCOCC2)n1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)20-7-4-8-21(28-20)27-18-22(9-15-31-16-10-22)30-13-11-29(12-14-30)17-19-5-2-1-3-6-19/h1-8H,9-18H2,(H,27,28)
InChIKeyQILJITGXLVMQIJ-UHFFFAOYSA-N
XLogP3.88
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 126539387
2-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126539757
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 103743077
N-[(Z)-2-(4-benzylpiperazin-1-yl)-2-ethylhex-3-enyl]-6-(trifluoromethyl)pyridin-2-amine
CID 139471468
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-3-chloro-2-methylpropanamide
CID 139462052
6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
CID 126539207
4-[4-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]oxan-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 137371420
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
N'-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-enimidamide
CID 145237535
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 126539749) is N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCC2(N3CCN(Cc4ccccc4)CC3)CCOCC2)n1.
What is the InChIKey of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QILJITGXLVMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c24-23(25,26)20-7-4-8-21(28-20)27-18-22(9-15-31-16-10-22)30-13-11-29(12-14-30)17-19-5-2-1-3-6-19/h1-8H,9-18H2,(H,27,28).
What are the key properties of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 434.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).