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

C10H14N6 — CID 116844690

IUPAC4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine
SMILESc1cc(C2(c3nn[nH]n3)CCNCC2)c[nH]1
InChIInChI=1S/C10H14N6/c1-4-12-7-8(1)10(2-5-11-6-3-10)9-13-15-16-14-9/h1,4,7,11-12H,2-3,5-6H2,(H,13,14,15,16)
InChIKeySTZSMZHWVFDAFO-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.20
Rot. Bonds2

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

4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 116844690) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine
PubChem CID116844690
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine
SMILESc1cc(C2(c3nn[nH]n3)CCNCC2)c[nH]1
InChIInChI=1S/C10H14N6/c1-4-12-7-8(1)10(2-5-11-6-3-10)9-13-15-16-14-9/h1,4,7,11-12H,2-3,5-6H2,(H,13,14,15,16)
InChIKeySTZSMZHWVFDAFO-UHFFFAOYSA-N
XLogP0.20
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine (CID 116844690) is 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine is c1cc(C2(c3nn[nH]n3)CCNCC2)c[nH]1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is STZSMZHWVFDAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-4-12-7-8(1)10(2-5-11-6-3-10)9-13-15-16-14-9/h1,4,7,11-12H,2-3,5-6H2,(H,13,14,15,16).
What are the key properties of 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine?
4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 218.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 116844690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).