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

C20H31N5O — CID 646437

IUPAC4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine
SMILESCOCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N5O/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3
InChIKeyLMIFEBSIYWEVQJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.97
Rot. Bonds8

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

4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine (PubChem CID 646437) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine
PubChem CID646437
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine
SMILESCOCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N5O/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3
InChIKeyLMIFEBSIYWEVQJ-UHFFFAOYSA-N
XLogP2.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.97
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-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine?
The IUPAC name of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine (CID 646437) is 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine?
The canonical SMILES for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine is COCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine?
The InChIKey is LMIFEBSIYWEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3.
What are the key properties of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine?
4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine has a molecular weight of 357.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine is sourced from PubChem (CID 646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).