4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine

C12H18N2 — CID 170203953

IUPAC4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
SMILESC=C(C1=NC=CC1)N1CCC(C)CC1
InChIInChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3
InChIKeyZIIMSTQBDPPZCZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine

4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine (PubChem CID 170203953) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
PubChem CID170203953
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
SMILESC=C(C1=NC=CC1)N1CCC(C)CC1
InChIInChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3
InChIKeyZIIMSTQBDPPZCZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The IUPAC name of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine (CID 170203953) is 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine is C=C(C1=NC=CC1)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The InChIKey is ZIIMSTQBDPPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3.
What are the key properties of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine has a molecular weight of 190.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine is sourced from PubChem (CID 170203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).