N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

C21H27F3N4O — CID 45196359

IUPACN-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESFC(F)(F)c1ccc(N2CCCC(NC3CCN(Cc4ccco4)CC3)C2)nc1
InChIInChI=1S/C21H27F3N4O/c22-21(23,24)16-5-6-20(25-13-16)28-9-1-3-18(14-28)26-17-7-10-27(11-8-17)15-19-4-2-12-29-19/h2,4-6,12-13,17-18,26H,1,3,7-11,14-15H2
InChIKeyQKAUJUXFINJHOI-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (PubChem CID 45196359) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
PubChem CID45196359
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESFC(F)(F)c1ccc(N2CCCC(NC3CCN(Cc4ccco4)CC3)C2)nc1
InChIInChI=1S/C21H27F3N4O/c22-21(23,24)16-5-6-20(25-13-16)28-9-1-3-18(14-28)26-17-7-10-27(11-8-17)15-19-4-2-12-29-19/h2,4-6,12-13,17-18,26H,1,3,7-11,14-15H2
InChIKeyQKAUJUXFINJHOI-UHFFFAOYSA-N
XLogP3.92
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 95868283
2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol
CID 45244033
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 46053995

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (CID 45196359) is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is FC(F)(F)c1ccc(N2CCCC(NC3CCN(Cc4ccco4)CC3)C2)nc1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is QKAUJUXFINJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c22-21(23,24)16-5-6-20(25-13-16)28-9-1-3-18(14-28)26-17-7-10-27(11-8-17)15-19-4-2-12-29-19/h2,4-6,12-13,17-18,26H,1,3,7-11,14-15H2.
What are the key properties of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 408.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 45196359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).