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

C12H18N2 — CID 142575190

IUPAC4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine
SMILESC=CC1=CCC(C2CCN(C)CC2)=N1
InChIInChI=1S/C12H18N2/c1-3-11-4-5-12(13-11)10-6-8-14(2)9-7-10/h3-4,10H,1,5-9H2,2H3
InChIKeyUBIHTYDEVUPIPN-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds2

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

4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine (PubChem CID 142575190) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine
PubChem CID142575190
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine
SMILESC=CC1=CCC(C2CCN(C)CC2)=N1
InChIInChI=1S/C12H18N2/c1-3-11-4-5-12(13-11)10-6-8-14(2)9-7-10/h3-4,10H,1,5-9H2,2H3
InChIKeyUBIHTYDEVUPIPN-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123772633
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4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
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(4aS,7aR)-2-(3-ethyl-2-methyl-3,4-dihydropyridin-5-yl)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridine
CID 57177100
1-methyl-4-(3H-pyrrol-2-yl)piperidine
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6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
1-Ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
CID 70379153
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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine?
The IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine (CID 142575190) is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine?
The canonical SMILES for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine is C=CC1=CCC(C2CCN(C)CC2)=N1.
What is the InChIKey of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine?
The InChIKey is UBIHTYDEVUPIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-11-4-5-12(13-11)10-6-8-14(2)9-7-10/h3-4,10H,1,5-9H2,2H3.
What are the key properties of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine?
4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 2 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-methylpiperidine is sourced from PubChem (CID 142575190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).