2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine

C17H26N6 — CID 3229114

IUPAC2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine
SMILESCCC(C)(C)n1nnnc1C(c1ccccn1)N1CCCCC1
InChIInChI=1S/C17H26N6/c1-4-17(2,3)23-16(19-20-21-23)15(14-10-6-7-11-18-14)22-12-8-5-9-13-22/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyJPKYVWIOAUHMDB-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.79
Rot. Bonds5

About 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine

2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine (PubChem CID 3229114) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine
PubChem CID3229114
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine
SMILESCCC(C)(C)n1nnnc1C(c1ccccn1)N1CCCCC1
InChIInChI=1S/C17H26N6/c1-4-17(2,3)23-16(19-20-21-23)15(14-10-6-7-11-18-14)22-12-8-5-9-13-22/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyJPKYVWIOAUHMDB-UHFFFAOYSA-N
XLogP2.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azepane
CID 1432588
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 3229271
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 1437502
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine
CID 3229292
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-[(1-tert-butyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3229215
1-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 44753204
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
CID 1492586
7-methyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1158024
1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209139
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine?
The IUPAC name of 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine (CID 3229114) is 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine.
What is the SMILES notation for 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine?
The canonical SMILES for 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine is CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCCCC1.
What is the InChIKey of 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine?
The InChIKey is JPKYVWIOAUHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-4-17(2,3)23-16(19-20-21-23)15(14-10-6-7-11-18-14)22-12-8-5-9-13-22/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine?
2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine has a molecular weight of 314.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine is sourced from PubChem (CID 3229114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).