4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine

C9H17N5 — CID 116844668

IUPAC4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine
SMILESCC(C)C1(c2nn[nH]n2)CCNCC1
InChIInChI=1S/C9H17N5/c1-7(2)9(3-5-10-6-4-9)8-11-13-14-12-8/h7,10H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyJVXPXITXAGNBBE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.48
Rot. Bonds2

About 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine

4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 116844668) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine
PubChem CID116844668
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine
SMILESCC(C)C1(c2nn[nH]n2)CCNCC1
InChIInChI=1S/C9H17N5/c1-7(2)9(3-5-10-6-4-9)8-11-13-14-12-8/h7,10H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyJVXPXITXAGNBBE-UHFFFAOYSA-N
XLogP0.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine (CID 116844668) is 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine is CC(C)C1(c2nn[nH]n2)CCNCC1.
What is the InChIKey of 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is JVXPXITXAGNBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7(2)9(3-5-10-6-4-9)8-11-13-14-12-8/h7,10H,3-6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine?
4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 195.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 116844668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).