1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine

C26H28N4 — CID 155512563

IUPAC1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine
SMILESc1ccc(CN2CCC(Cn3cc(Cc4cccc5ccccc45)nn3)CC2)cc1
InChIInChI=1S/C26H28N4/c1-2-7-21(8-3-1)18-29-15-13-22(14-16-29)19-30-20-25(27-28-30)17-24-11-6-10-23-9-4-5-12-26(23)24/h1-12,20,22H,13-19H2
InChIKeyMHFSZJNPDVJQJK-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.93
Rot. Bonds6

About 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine

1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine (PubChem CID 155512563) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine
PubChem CID155512563
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine
SMILESc1ccc(CN2CCC(Cn3cc(Cc4cccc5ccccc45)nn3)CC2)cc1
InChIInChI=1S/C26H28N4/c1-2-7-21(8-3-1)18-29-15-13-22(14-16-29)19-30-20-25(27-28-30)17-24-11-6-10-23-9-4-5-12-26(23)24/h1-12,20,22H,13-19H2
InChIKeyMHFSZJNPDVJQJK-UHFFFAOYSA-N
XLogP4.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The IUPAC name of 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine (CID 155512563) is 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The canonical SMILES for 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine is c1ccc(CN2CCC(Cn3cc(Cc4cccc5ccccc45)nn3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The InChIKey is MHFSZJNPDVJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-2-7-21(8-3-1)18-29-15-13-22(14-16-29)19-30-20-25(27-28-30)17-24-11-6-10-23-9-4-5-12-26(23)24/h1-12,20,22H,13-19H2.
What are the key properties of 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine?
1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine has a molecular weight of 396.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[4-(naphthalen-1-ylmethyl)triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 155512563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).