4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid

C8H14N6O2 — CID 14877967

IUPAC4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(CCc2nn[nH]n2)CCN1
InChIInChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)
InChIKeyGXQNTGVRQAAYQI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.90
Rot. Bonds4

About 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid

4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid (PubChem CID 14877967) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid
PubChem CID14877967
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(CCc2nn[nH]n2)CCN1
InChIInChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)
InChIKeyGXQNTGVRQAAYQI-UHFFFAOYSA-N
XLogP-1.90
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-(2-methylsulfanylethyl)piperazine-2-carboxylic acid
CID 170266617
4-(2-phosphonoethyl)piperazine-2-carboxylic acid
CID 13491860
5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
CID 107912909
4-(3-phosphonopropyl)piperazine-2-carboxylic acid;hydrochloride
CID 139889844
4-[3-[hydroxy(methyl)phosphoryl]propyl]piperazine-2-carboxylic acid
CID 14751359
(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid
CID 70885147
(2R)-4-[(4-chlorophenyl)methyl]piperazine-2-carboxylic acid
CID 95731948
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 56868361
(2S)-4-(1,3-thiazol-5-ylmethyl)piperazine-2-carboxylic acid
CID 97169264
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 114278574

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid (CID 14877967) is 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid is O=C(O)C1CN(CCc2nn[nH]n2)CCN1.
What is the InChIKey of 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid?
The InChIKey is GXQNTGVRQAAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13).
What are the key properties of 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid?
4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 14877967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).