1-[(1-phenyltetrazol-5-yl)methyl]piperidine

C13H17N5 — CID 91265477

IUPAC1-[(1-phenyltetrazol-5-yl)methyl]piperidine
SMILESc1ccc(-n2nnnc2CN2CCCCC2)cc1
InChIInChI=1S/C13H17N5/c1-3-7-12(8-4-1)18-13(14-15-16-18)11-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGMHUYJIGGPXBMX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.65
Rot. Bonds3

About 1-[(1-phenyltetrazol-5-yl)methyl]piperidine

1-[(1-phenyltetrazol-5-yl)methyl]piperidine (PubChem CID 91265477) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(1-phenyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-phenyltetrazol-5-yl)methyl]piperidine
PubChem CID91265477
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[(1-phenyltetrazol-5-yl)methyl]piperidine
SMILESc1ccc(-n2nnnc2CN2CCCCC2)cc1
InChIInChI=1S/C13H17N5/c1-3-7-12(8-4-1)18-13(14-15-16-18)11-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGMHUYJIGGPXBMX-UHFFFAOYSA-N
XLogP1.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zolertine
CID 23669
5-Methyl-1-phenyl-1H-tetrazole
CID 95204
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-(4-fluorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 1448756
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
5-(chloromethyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 2793409
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-[(1-phenyltetrazol-5-yl)methyl]piperidine (CID 91265477) is 1-[(1-phenyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-phenyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-phenyltetrazol-5-yl)methyl]piperidine is c1ccc(-n2nnnc2CN2CCCCC2)cc1.
What is the InChIKey of 1-[(1-phenyltetrazol-5-yl)methyl]piperidine?
The InChIKey is GMHUYJIGGPXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-7-12(8-4-1)18-13(14-15-16-18)11-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 1-[(1-phenyltetrazol-5-yl)methyl]piperidine?
1-[(1-phenyltetrazol-5-yl)methyl]piperidine has a molecular weight of 243.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 91265477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).