1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid

C14H17N5O2 — CID 122051249

IUPAC1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
SMILESCc1ccc(-n2nnnc2N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17N5O2/c1-10-4-6-12(7-5-10)19-14(15-16-17-19)18-8-2-3-11(9-18)13(20)21/h4-7,11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyQRDVWXJCUNLVLS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid

1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid (PubChem CID 122051249) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
PubChem CID122051249
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
SMILESCc1ccc(-n2nnnc2N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17N5O2/c1-10-4-6-12(7-5-10)19-14(15-16-17-19)18-8-2-3-11(9-18)13(20)21/h4-7,11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyQRDVWXJCUNLVLS-UHFFFAOYSA-N
XLogP1.27
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(1-phenyltetrazol-5-yl)piperidine-3-carboxylate
CID 2999359
Ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate
CID 4879859
1-[[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906595
1-[[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906596
1-[[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-3-carboxylic acid;hydrochloride
CID 120354986
1-[[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 120354987
(3S,4S)-1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063940
1-[[3-Fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122089357
1-[[3-Fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102788
1-(1-Phenyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 16795117
3-benzyl-1-(1-phenyl-1H-tetrazol-5-yl)piperidine-3-carboxylic acid
CID 56870112
5-[1-(4-Methylphenyl)tetrazol-5-yl]pentanoic acid
CID 21295525

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid (CID 122051249) is 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid is Cc1ccc(-n2nnnc2N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The InChIKey is QRDVWXJCUNLVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-4-6-12(7-5-10)19-14(15-16-17-19)18-8-2-3-11(9-18)13(20)21/h4-7,11H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122051249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).