3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine

C20H31N5 — CID 3193570

IUPAC3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC(C)C1
InChIInChI=1S/C20H31N5/c1-6-20(4,5)25-19(21-22-23-25)18(17-11-9-15(2)10-12-17)24-13-7-8-16(3)14-24/h9-12,16,18H,6-8,13-14H2,1-5H3
InChIKeyFKRRZKIHIZFAAX-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.95
Rot. Bonds5

About 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine

3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine (PubChem CID 3193570) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine
PubChem CID3193570
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC(C)C1
InChIInChI=1S/C20H31N5/c1-6-20(4,5)25-19(21-22-23-25)18(17-11-9-15(2)10-12-17)24-13-7-8-16(3)14-24/h9-12,16,18H,6-8,13-14H2,1-5H3
InChIKeyFKRRZKIHIZFAAX-UHFFFAOYSA-N
XLogP3.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-2-one
CID 1158818
6,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 3183148
8-methyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-2-one
CID 7116696
7-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183662
1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1432259
1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209101
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclopentylpiperazine
CID 1443842
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 43811951
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
2-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 3201827
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-cyclohexyl-4-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668235

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine (CID 3193570) is 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine is CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine?
The InChIKey is FKRRZKIHIZFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-6-20(4,5)25-19(21-22-23-25)18(17-11-9-15(2)10-12-17)24-13-7-8-16(3)14-24/h9-12,16,18H,6-8,13-14H2,1-5H3.
What are the key properties of 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine?
3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine has a molecular weight of 341.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 3193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).