1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine

C21H33N5O2 — CID 3201612

IUPAC1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCC(C)CC1
InChIInChI=1S/C21H33N5O2/c1-7-21(3,4)26-20(22-23-24-26)19(25-12-10-15(2)11-13-25)17-14-16(27-5)8-9-18(17)28-6/h8-9,14-15,19H,7,10-13H2,1-6H3
InChIKeyIMERRAHZSPOWPG-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.66
Rot. Bonds7

About 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine

1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine (PubChem CID 3201612) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
PubChem CID3201612
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCC(C)CC1
InChIInChI=1S/C21H33N5O2/c1-7-21(3,4)26-20(22-23-24-26)19(25-12-10-15(2)11-13-25)17-14-16(27-5)8-9-18(17)28-6/h8-9,14-15,19H,7,10-13H2,1-6H3
InChIKeyIMERRAHZSPOWPG-UHFFFAOYSA-N
XLogP3.66
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
CID 23761879
1-(4-methoxyphenyl)-4-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209154
1-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 44753204
6-ethoxy-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1160267
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171700127
3-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 1074509
5,8-dimethyl-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1159040
7-methoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159959
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608
1-cyclohexyl-4-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668235
1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine
CID 23969563

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine (CID 3201612) is 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine is CCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCC(C)CC1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The InChIKey is IMERRAHZSPOWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-7-21(3,4)26-20(22-23-24-26)19(25-12-10-15(2)11-13-25)17-14-16(27-5)8-9-18(17)28-6/h8-9,14-15,19H,7,10-13H2,1-6H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine?
1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine has a molecular weight of 387.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 3201612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).