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

C22H27N5 — CID 125114358

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESc1ccc(Cn2nc(CNCC3CCNCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H27N5/c1-3-7-19(8-4-1)17-27-25-21(16-24-15-18-11-13-23-14-12-18)22(26-27)20-9-5-2-6-10-20/h1-10,18,23-24H,11-17H2
InChIKeyJRFJXXYRCDQHMP-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.08
Rot. Bonds7

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

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 125114358) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID125114358
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESc1ccc(Cn2nc(CNCC3CCNCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H27N5/c1-3-7-19(8-4-1)17-27-25-21(16-24-15-18-11-13-23-14-12-18)22(26-27)20-9-5-2-6-10-20/h1-10,18,23-24H,11-17H2
InChIKeyJRFJXXYRCDQHMP-UHFFFAOYSA-N
XLogP3.08
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 125114551
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 125114746
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124814533
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
CID 124818663
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 124815871
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124797324
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124826120
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132910686
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine (CID 125114358) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine is c1ccc(Cn2nc(CNCC3CCNCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is JRFJXXYRCDQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-3-7-19(8-4-1)17-27-25-21(16-24-15-18-11-13-23-14-12-18)22(26-27)20-9-5-2-6-10-20/h1-10,18,23-24H,11-17H2.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 361.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 125114358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).