4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine

C14H22N2 — CID 142575193

IUPAC4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine
SMILESC=CC1=CCC(C2CCN(C(C)C)CC2)=N1
InChIInChI=1S/C14H22N2/c1-4-13-5-6-14(15-13)12-7-9-16(10-8-12)11(2)3/h4-5,11-12H,1,6-10H2,2-3H3
InChIKeyYRPUXMLFZMMOAC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds3

About 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine

4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine (PubChem CID 142575193) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine
PubChem CID142575193
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine
SMILESC=CC1=CCC(C2CCN(C(C)C)CC2)=N1
InChIInChI=1S/C14H22N2/c1-4-13-5-6-14(15-13)12-7-9-16(10-8-12)11(2)3/h4-5,11-12H,1,6-10H2,2-3H3
InChIKeyYRPUXMLFZMMOAC-UHFFFAOYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine (CID 142575193) is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine is C=CC1=CCC(C2CCN(C(C)C)CC2)=N1.
What is the InChIKey of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is YRPUXMLFZMMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-5-6-14(15-13)12-7-9-16(10-8-12)11(2)3/h4-5,11-12H,1,6-10H2,2-3H3.
What are the key properties of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine?
4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 218.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 142575193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).