N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine

C22H26FN5 — CID 125114551

IUPACN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccccc1Cn1nc(CNCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C22H26FN5/c23-20-9-5-4-8-19(20)16-28-26-21(15-25-14-17-10-12-24-13-11-17)22(27-28)18-6-2-1-3-7-18/h1-9,17,24-25H,10-16H2
InChIKeyOZQDOQQSVGOGIN-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 125114551) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID125114551
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccccc1Cn1nc(CNCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C22H26FN5/c23-20-9-5-4-8-19(20)16-28-26-21(15-25-14-17-10-12-24-13-11-17)22(27-28)18-6-2-1-3-7-18/h1-9,17,24-25H,10-16H2
InChIKeyOZQDOQQSVGOGIN-UHFFFAOYSA-N
XLogP3.22
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
CID 125114358
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 125114746
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
4-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787438
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methylpropan-2-amine
CID 124825153
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114903
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824981
N-[(2-phenylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 155181758
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783299
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783157
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine (CID 125114551) is N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine is Fc1ccccc1Cn1nc(CNCC2CCNCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is OZQDOQQSVGOGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c23-20-9-5-4-8-19(20)16-28-26-21(15-25-14-17-10-12-24-13-11-17)22(27-28)18-6-2-1-3-7-18/h1-9,17,24-25H,10-16H2.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 379.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 125114551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).