4-(1H-pyrrol-3-yl)piperidine

C9H14N2 — CID 58617596

IUPAC4-(1H-pyrrol-3-yl)piperidine
SMILESc1cc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H14N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10-11H,1-2,4-5H2
InChIKeyAVGJJXQNFZILJL-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.48
Rot. Bonds1

About 4-(1H-pyrrol-3-yl)piperidine

4-(1H-pyrrol-3-yl)piperidine (PubChem CID 58617596) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)piperidine
PubChem CID58617596
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name4-(1H-pyrrol-3-yl)piperidine
SMILESc1cc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H14N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10-11H,1-2,4-5H2
InChIKeyAVGJJXQNFZILJL-UHFFFAOYSA-N
XLogP1.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)piperidine?
The IUPAC name of 4-(1H-pyrrol-3-yl)piperidine (CID 58617596) is 4-(1H-pyrrol-3-yl)piperidine.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)piperidine?
The canonical SMILES for 4-(1H-pyrrol-3-yl)piperidine is c1cc(C2CCNCC2)c[nH]1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)piperidine?
The InChIKey is AVGJJXQNFZILJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10-11H,1-2,4-5H2.
What are the key properties of 4-(1H-pyrrol-3-yl)piperidine?
4-(1H-pyrrol-3-yl)piperidine has a molecular weight of 150.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 58617596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).