[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

C20H25N5O — CID 45234763

IUPAC[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3ccccc3-c3ccco3)C2)nn1
InChIInChI=1S/C20H25N5O/c21-11-18-15-25(23-22-18)13-16-5-3-9-24(12-16)14-17-6-1-2-7-19(17)20-8-4-10-26-20/h1-2,4,6-8,10,15-16H,3,5,9,11-14,21H2
InChIKeyJVCIJLVMMKKFCB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds6

About [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 45234763) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID45234763
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3ccccc3-c3ccco3)C2)nn1
InChIInChI=1S/C20H25N5O/c21-11-18-15-25(23-22-18)13-16-5-3-9-24(12-16)14-17-6-1-2-7-19(17)20-8-4-10-26-20/h1-2,4,6-8,10,15-16H,3,5,9,11-14,21H2
InChIKeyJVCIJLVMMKKFCB-UHFFFAOYSA-N
XLogP2.91
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45227302
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962
[1-[[(3S)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 31075020
N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42355837
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 31107020
[1-[[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 154889604
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 133133541
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (CID 45234763) is [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is NCc1cn(CC2CCCN(Cc3ccccc3-c3ccco3)C2)nn1.
What is the InChIKey of [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is JVCIJLVMMKKFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-11-18-15-25(23-22-18)13-16-5-3-9-24(12-16)14-17-6-1-2-7-19(17)20-8-4-10-26-20/h1-2,4,6-8,10,15-16H,3,5,9,11-14,21H2.
What are the key properties of [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 351.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 45234763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).