4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid

C10H17N5O2 — CID 107044922

IUPAC4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCn1nnc(CN2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C10H17N5O2/c1-10(9(16)17)3-5-15(6-4-10)7-8-11-13-14(2)12-8/h3-7H2,1-2H3,(H,16,17)
InChIKeyVAXIQYYWMAPJQB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.10
Rot. Bonds3

About 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid

4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 107044922) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID107044922
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCn1nnc(CN2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C10H17N5O2/c1-10(9(16)17)3-5-15(6-4-10)7-8-11-13-14(2)12-8/h3-7H2,1-2H3,(H,16,17)
InChIKeyVAXIQYYWMAPJQB-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
2-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]azetidin-3-yl]oxyacetic acid
CID 107045066
1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063275
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
CID 107041759
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
CID 107045024
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 107044922) is 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid is Cn1nnc(CN2CCC(C)(C(=O)O)CC2)n1.
What is the InChIKey of 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is VAXIQYYWMAPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(9(16)17)3-5-15(6-4-10)7-8-11-13-14(2)12-8/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid?
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 107044922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).