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

C14H19N5 — CID 3242653

IUPAC2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESCC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5/c1-11-4-2-3-9-19(11)10-12-5-7-13(8-6-12)14-15-17-18-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16,17,18)
InChIKeyBVMKOCVADNIHAQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.24
Rot. Bonds3

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

2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (PubChem CID 3242653) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
PubChem CID3242653
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESCC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5/c1-11-4-2-3-9-19(11)10-12-5-7-13(8-6-12)14-15-17-18-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16,17,18)
InChIKeyBVMKOCVADNIHAQ-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The IUPAC name of 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (CID 3242653) is 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The canonical SMILES for 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is CC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The InChIKey is BVMKOCVADNIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-4-2-3-9-19(11)10-12-5-7-13(8-6-12)14-15-17-18-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16,17,18).
What are the key properties of 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine has a molecular weight of 257.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 3242653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).