4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine

C18H28N6 — CID 3229125

IUPAC4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine
SMILESCCC(C)(C)n1nnnc1C(c1ccncc1)N1CCC(C)CC1
InChIInChI=1S/C18H28N6/c1-5-18(3,4)24-17(20-21-22-24)16(15-6-10-19-11-7-15)23-12-8-14(2)9-13-23/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3
InChIKeyIFAFCECVQPUVJH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.03
Rot. Bonds5

About 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine

4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 3229125) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine
PubChem CID3229125
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine
SMILESCCC(C)(C)n1nnnc1C(c1ccncc1)N1CCC(C)CC1
InChIInChI=1S/C18H28N6/c1-5-18(3,4)24-17(20-21-22-24)16(15-6-10-19-11-7-15)23-12-8-14(2)9-13-23/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3
InChIKeyIFAFCECVQPUVJH-UHFFFAOYSA-N
XLogP3.03
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622
2-[4-[5-Methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11461755
2-[4-[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11473073
2-[4-(4-Benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11740204
3-(1-Phenyltetrazol-5-yl)pyridine
CID 3230982
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 644767
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-pyrrolidin-1-yl-methyl]-pyridine
CID 644790

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine (CID 3229125) is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine is CCC(C)(C)n1nnnc1C(c1ccncc1)N1CCC(C)CC1.
What is the InChIKey of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is IFAFCECVQPUVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-5-18(3,4)24-17(20-21-22-24)16(15-6-10-19-11-7-15)23-12-8-14(2)9-13-23/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3.
What are the key properties of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine?
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 328.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 3229125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).