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

C17H26ClN5O — CID 6602571

IUPAC4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
SMILESCOCCn1nnnc1CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N5O.ClH/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;1H
InChIKeyXIBDRUGAYSNDSV-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.20
Rot. Bonds7

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

4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride (PubChem CID 6602571) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
PubChem CID6602571
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC Name4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
SMILESCOCCn1nnnc1CN1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N5O.ClH/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;1H
InChIKeyXIBDRUGAYSNDSV-UHFFFAOYSA-N
XLogP2.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.20
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;hydrochloride?
The IUPAC name of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride (CID 6602571) is 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride is COCCn1nnnc1CN1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
The InChIKey is XIBDRUGAYSNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.ClH/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;1H.
What are the key properties of 4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
4-benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.20, 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;hydrochloride is sourced from PubChem (CID 6602571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).