4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine

C11H16N6 — CID 116844729

IUPAC4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine
SMILESCn1nnc(C2(c3cc[nH]c3)CCNCC2)n1
InChIInChI=1S/C11H16N6/c1-17-15-10(14-16-17)11(3-6-12-7-4-11)9-2-5-13-8-9/h2,5,8,12-13H,3-4,6-7H2,1H3
InChIKeyZYVKBJYELVGELH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.21
Rot. Bonds2

About 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine

4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine (PubChem CID 116844729) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine
PubChem CID116844729
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine
SMILESCn1nnc(C2(c3cc[nH]c3)CCNCC2)n1
InChIInChI=1S/C11H16N6/c1-17-15-10(14-16-17)11(3-6-12-7-4-11)9-2-5-13-8-9/h2,5,8,12-13H,3-4,6-7H2,1H3
InChIKeyZYVKBJYELVGELH-UHFFFAOYSA-N
XLogP0.21
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine?
The IUPAC name of 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine (CID 116844729) is 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine is Cn1nnc(C2(c3cc[nH]c3)CCNCC2)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine?
The InChIKey is ZYVKBJYELVGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17-15-10(14-16-17)11(3-6-12-7-4-11)9-2-5-13-8-9/h2,5,8,12-13H,3-4,6-7H2,1H3.
What are the key properties of 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine?
4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine has a molecular weight of 232.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 116844729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).