4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine

C17H25N5O — CID 644368

IUPAC4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine
SMILESCOCCn1nnnc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-23-12-11-22-17(18-19-20-22)14-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyYUFJVPXLDSAWIC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.77
Rot. Bonds7

About 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine

4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 644368) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine
PubChem CID644368
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine
SMILESCOCCn1nnnc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-23-12-11-22-17(18-19-20-22)14-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyYUFJVPXLDSAWIC-UHFFFAOYSA-N
XLogP1.77
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine (CID 644368) is 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine is COCCn1nnnc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is YUFJVPXLDSAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-23-12-11-22-17(18-19-20-22)14-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine?
4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 315.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 644368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).