4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid

C20H21N5O2 — CID 22240699

IUPAC4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2nnn(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(27)24-13-11-20(12-14-24,17-9-5-2-6-10-17)18-21-23-25(22-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,26,27)
InChIKeyLUKKSMAQADDJTJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.78
Rot. Bonds4

About 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid

4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid (PubChem CID 22240699) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
PubChem CID22240699
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2nnn(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(27)24-13-11-20(12-14-24,17-9-5-2-6-10-17)18-21-23-25(22-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,26,27)
InChIKeyLUKKSMAQADDJTJ-UHFFFAOYSA-N
XLogP2.78
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
benzamide;4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carbothioic S-acid
CID 87392865
[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 22240851
ethyl 4-[2-[(3-fluorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylate
CID 23600772
2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine
CID 143087593
4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
CID 91426619
2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide
CID 143087621
4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240874
4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
CID 154352659
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
5-amino-2-benzyltriazole-4-carboxylic acid
CID 84724246
2-amino-1-(2-benzyltetrazol-5-yl)ethanol
CID 84786669

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid (CID 22240699) is 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2)(c2nnn(Cc3ccccc3)n2)CC1.
What is the InChIKey of 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is LUKKSMAQADDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(27)24-13-11-20(12-14-24,17-9-5-2-6-10-17)18-21-23-25(22-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,26,27).
What are the key properties of 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid?
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22240699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).