1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine

C28H30N4O — CID 162646932

IUPAC1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H30N4O/c1-4-10-23(11-5-1)22-32-28(27(29-30-32)24-12-6-2-7-13-24)25-14-16-26(17-15-25)33-21-20-31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-22H2
InChIKeyHBYPEFKGMOCJPA-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.53
Rot. Bonds8

About 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine

1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine (PubChem CID 162646932) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
PubChem CID162646932
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H30N4O/c1-4-10-23(11-5-1)22-32-28(27(29-30-32)24-12-6-2-7-13-24)25-14-16-26(17-15-25)33-21-20-31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-22H2
InChIKeyHBYPEFKGMOCJPA-UHFFFAOYSA-N
XLogP5.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
CID 175108845
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
CID 173305671
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748865

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine (CID 162646932) is 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine is c1ccc(Cn2nnc(-c3ccccc3)c2-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine?
The InChIKey is HBYPEFKGMOCJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-4-10-23(11-5-1)22-32-28(27(29-30-32)24-12-6-2-7-13-24)25-14-16-26(17-15-25)33-21-20-31-18-8-3-9-19-31/h1-2,4-7,10-17H,3,8-9,18-22H2.
What are the key properties of 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine?
1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine has a molecular weight of 438.58 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 162646932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).