2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine

C11H19N5 — CID 107058899

IUPAC2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine
SMILESCC(=Cc1nnn(C)n1)CC1CCCCN1
InChIInChI=1S/C11H19N5/c1-9(7-10-5-3-4-6-12-10)8-11-13-15-16(2)14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyQOXKXPVJPNIZJX-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.15
Rot. Bonds3

About 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine

2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine (PubChem CID 107058899) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine
PubChem CID107058899
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine
SMILESCC(=Cc1nnn(C)n1)CC1CCCCN1
InChIInChI=1S/C11H19N5/c1-9(7-10-5-3-4-6-12-10)8-11-13-15-16(2)14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyQOXKXPVJPNIZJX-UHFFFAOYSA-N
XLogP1.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine (CID 107058899) is 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine is CC(=Cc1nnn(C)n1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine?
The InChIKey is QOXKXPVJPNIZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-9(7-10-5-3-4-6-12-10)8-11-13-15-16(2)14-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine has a molecular weight of 221.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 107058899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).