1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine

C17H21N7 — CID 133300635

IUPAC1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCc1ccc(-n2nnnc2N2CCC(c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H21N7/c1-13-3-5-16(6-4-13)24-17(19-20-21-24)23-9-7-14(8-10-23)15-11-18-22(2)12-15/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyPPHPCSLCZJGWML-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.09
Rot. Bonds3

About 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine

1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 133300635) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID133300635
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCc1ccc(-n2nnnc2N2CCC(c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H21N7/c1-13-3-5-16(6-4-13)24-17(19-20-21-24)23-9-7-14(8-10-23)15-11-18-22(2)12-15/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyPPHPCSLCZJGWML-UHFFFAOYSA-N
XLogP2.09
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
CID 133300632
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130
1-(4-ethylsulfonylphenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 91651135
2-[4-ethyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-triazol-3-yl]pyrimidine
CID 154783841
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine (CID 133300635) is 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine is Cc1ccc(-n2nnnc2N2CCC(c3cnn(C)c3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is PPHPCSLCZJGWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-13-3-5-16(6-4-13)24-17(19-20-21-24)23-9-7-14(8-10-23)15-11-18-22(2)12-15/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine?
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 323.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 133300635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).