3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine

C10H19N5O — CID 107044426

IUPAC3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine
SMILESCn1nnc(COCCC2CCCNC2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-16-6-4-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3
InChIKeyZMDXFQWOBGWXOE-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.12
Rot. Bonds5

About 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine

3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine (PubChem CID 107044426) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine
PubChem CID107044426
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine
SMILESCn1nnc(COCCC2CCCNC2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-16-6-4-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3
InChIKeyZMDXFQWOBGWXOE-UHFFFAOYSA-N
XLogP0.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine (CID 107044426) is 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine is Cn1nnc(COCCC2CCCNC2)n1.
What is the InChIKey of 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine?
The InChIKey is ZMDXFQWOBGWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-16-6-4-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine?
3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine has a molecular weight of 225.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 107044426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).