1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine

C11H20N6 — CID 63149897

IUPAC1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine
SMILESCn1nnnc1N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N6/c1-16-11(13-14-15-16)17-7-3-4-9(8-17)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyROPSICAVHUHWSA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.18
Rot. Bonds2

About 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine

1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 63149897) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine
PubChem CID63149897
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine
SMILESCn1nnnc1N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N6/c1-16-11(13-14-15-16)17-7-3-4-9(8-17)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyROPSICAVHUHWSA-UHFFFAOYSA-N
XLogP0.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine (CID 63149897) is 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine is Cn1nnnc1N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is ROPSICAVHUHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-16-11(13-14-15-16)17-7-3-4-9(8-17)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine?
1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 236.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63149897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).