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

C11H21N5O — CID 3201579

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCOCCn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C11H21N5O/c1-10-3-5-15(6-4-10)9-11-12-13-14-16(11)7-8-17-2/h10H,3-9H2,1-2H3
InChIKeyZSNAIUCDJVKDHQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.55
Rot. Bonds5

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

1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine (PubChem CID 3201579) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine
PubChem CID3201579
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCOCCn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C11H21N5O/c1-10-3-5-15(6-4-10)9-11-12-13-14-16(11)7-8-17-2/h10H,3-9H2,1-2H3
InChIKeyZSNAIUCDJVKDHQ-UHFFFAOYSA-N
XLogP0.55
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine (CID 3201579) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine is COCCn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The InChIKey is ZSNAIUCDJVKDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10-3-5-15(6-4-10)9-11-12-13-14-16(11)7-8-17-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine has a molecular weight of 239.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 3201579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).