1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine

C13H22N2 — CID 142001405

IUPAC1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
SMILESCCCC1C=NC(C2CCN(C)CC2)=C1
InChIInChI=1S/C13H22N2/c1-3-4-11-9-13(14-10-11)12-5-7-15(2)8-6-12/h9-12H,3-8H2,1-2H3
InChIKeyWARCFTJOAUPGLJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds3

About 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine

1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine (PubChem CID 142001405) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
PubChem CID142001405
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
SMILESCCCC1C=NC(C2CCN(C)CC2)=C1
InChIInChI=1S/C13H22N2/c1-3-4-11-9-13(14-10-11)12-5-7-15(2)8-6-12/h9-12H,3-8H2,1-2H3
InChIKeyWARCFTJOAUPGLJ-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine?
The IUPAC name of 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine (CID 142001405) is 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine?
The canonical SMILES for 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine is CCCC1C=NC(C2CCN(C)CC2)=C1.
What is the InChIKey of 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine?
The InChIKey is WARCFTJOAUPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-11-9-13(14-10-11)12-5-7-15(2)8-6-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine?
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine is sourced from PubChem (CID 142001405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).