1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine

C13H17N5 — CID 3240353

IUPAC1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESc1cc(-c2nn[nH]n2)ccc1CN1CCCCC1
InChIInChI=1S/C13H17N5/c1-2-8-18(9-3-1)10-11-4-6-12(7-5-11)13-14-16-17-15-13/h4-7H,1-3,8-10H2,(H,14,15,16,17)
InChIKeyQCMVMNLDELFAOT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.85
Rot. Bonds3

About 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine

1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (PubChem CID 3240353) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
PubChem CID3240353
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESc1cc(-c2nn[nH]n2)ccc1CN1CCCCC1
InChIInChI=1S/C13H17N5/c1-2-8-18(9-3-1)10-11-4-6-12(7-5-11)13-14-16-17-15-13/h4-7H,1-3,8-10H2,(H,14,15,16,17)
InChIKeyQCMVMNLDELFAOT-UHFFFAOYSA-N
XLogP1.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
1-Benzyl-4-(5-phenyl-tetrazol-2-yl)-piperidine
CID 21219144
2-[5-[4-(Piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1462968
2-methyl-1-[4-(2H-tetrazol-5-yl)benzyl]piperidine
CID 3242653
1-{Phenyl-[4-(1H-tetrazol-5-yl)-phenyl]-methyl}-piperazine
CID 10853147
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
4-methyl-1-[4-(2H-tetrazol-5-yl)benzyl]piperidine
CID 3244608
5-(4'-(Azidomethyl)(1,1'-biphenyl)-2-yl)-2H-tetrazole
CID 53879656
Piperidine, 1-(3-(5-phenyl-2H-tetrazol-2-yl)propyl)-, monohydrochloride
CID 3074481
(4-(1H-1,2,3,4-tetrazol-5-yl)phenyl)methanamine hydrochloride
CID 23224690
1-(2-(5-Phenyl-2H-tetrazol-2-yl)ethyl)piperidine monohydrochloride
CID 3030625

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (CID 3240353) is 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is c1cc(-c2nn[nH]n2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The InChIKey is QCMVMNLDELFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-8-18(9-3-1)10-11-4-6-12(7-5-11)13-14-16-17-15-13/h4-7H,1-3,8-10H2,(H,14,15,16,17).
What are the key properties of 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine has a molecular weight of 243.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 3240353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).