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

C14H22N2 — CID 89409493

IUPAC1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine
SMILESC=C(CCC1=CN=C(C)C1)N1CCCCC1
InChIInChI=1S/C14H22N2/c1-12-10-14(11-15-12)7-6-13(2)16-8-4-3-5-9-16/h11H,2-10H2,1H3
InChIKeyYIOTVLGODZUFFY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.51
Rot. Bonds4

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

1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine (PubChem CID 89409493) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine
PubChem CID89409493
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine
SMILESC=C(CCC1=CN=C(C)C1)N1CCCCC1
InChIInChI=1S/C14H22N2/c1-12-10-14(11-15-12)7-6-13(2)16-8-4-3-5-9-16/h11H,2-10H2,1H3
InChIKeyYIOTVLGODZUFFY-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine?
The IUPAC name of 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine (CID 89409493) is 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine.
What is the SMILES notation for 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine?
The canonical SMILES for 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine is C=C(CCC1=CN=C(C)C1)N1CCCCC1.
What is the InChIKey of 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine?
The InChIKey is YIOTVLGODZUFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-10-14(11-15-12)7-6-13(2)16-8-4-3-5-9-16/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine?
1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine has a molecular weight of 218.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine is sourced from PubChem (CID 89409493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).