1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine

C13H22N2 — CID 58336937

IUPAC1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
SMILESC=C1C=C(N2CCCCC2)CN1C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)15-10-13(9-12(15)3)14-7-5-4-6-8-14/h9,11H,3-8,10H2,1-2H3
InChIKeyCDKITMPFFARMNI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.59
Rot. Bonds2

About 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine

1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine (PubChem CID 58336937) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
PubChem CID58336937
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
SMILESC=C1C=C(N2CCCCC2)CN1C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)15-10-13(9-12(15)3)14-7-5-4-6-8-14/h9,11H,3-8,10H2,1-2H3
InChIKeyCDKITMPFFARMNI-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine?
The IUPAC name of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine (CID 58336937) is 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine.
What is the SMILES notation for 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine?
The canonical SMILES for 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine is C=C1C=C(N2CCCCC2)CN1C(C)C.
What is the InChIKey of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine?
The InChIKey is CDKITMPFFARMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)15-10-13(9-12(15)3)14-7-5-4-6-8-14/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine?
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine has a molecular weight of 206.33 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 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 58336937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).