4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid

C10H17N5O2 — CID 55165978

IUPAC4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H17N5O2/c1-3-10(8(16)17)4-6-15(7-5-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17)
InChIKeyWDKGVXCBYHIZFV-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.29
Rot. Bonds3

About 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid

4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 55165978) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
PubChem CID55165978
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H17N5O2/c1-3-10(8(16)17)4-6-15(7-5-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17)
InChIKeyWDKGVXCBYHIZFV-UHFFFAOYSA-N
XLogP0.29
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid (CID 55165978) is 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2nnnn2C)CC1.
What is the InChIKey of 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is WDKGVXCBYHIZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-10(8(16)17)4-6-15(7-5-10)9-11-12-13-14(9)2/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55165978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).