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

C9H15N5O2 — CID 63152260

IUPAC4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESCn1nnnc1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C9H15N5O2/c1-9(7(15)16)3-5-14(6-4-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyVTQBSFSGZHANRC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.10
Rot. Bonds2

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

4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 63152260) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
PubChem CID63152260
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESCn1nnnc1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C9H15N5O2/c1-9(7(15)16)3-5-14(6-4-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyVTQBSFSGZHANRC-UHFFFAOYSA-N
XLogP-0.10
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid (CID 63152260) is 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid is Cn1nnnc1N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is VTQBSFSGZHANRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(7(15)16)3-5-14(6-4-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid?
4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63152260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).