(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine

C10H16N2 — CID 89154206

IUPAC(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
SMILESCC1C=C([C@@H]2CCCCN2)C=N1
InChIInChI=1S/C10H16N2/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h6-8,10-11H,2-5H2,1H3/t8?,10-/m0/s1
InChIKeyUUYWAGOUKDRVCO-HTLJXXAVSA-N
MW164.25 g/mol
LogP1.53
Rot. Bonds1

About (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine

(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine (PubChem CID 89154206) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
PubChem CID89154206
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
SMILESCC1C=C([C@@H]2CCCCN2)C=N1
InChIInChI=1S/C10H16N2/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h6-8,10-11H,2-5H2,1H3/t8?,10-/m0/s1
InChIKeyUUYWAGOUKDRVCO-HTLJXXAVSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine?
The IUPAC name of (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine (CID 89154206) is (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine.
What is the SMILES notation for (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine?
The canonical SMILES for (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine is CC1C=C([C@@H]2CCCCN2)C=N1.
What is the InChIKey of (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine?
The InChIKey is UUYWAGOUKDRVCO-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h6-8,10-11H,2-5H2,1H3/t8?,10-/m0/s1.
What are the key properties of (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine?
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine is sourced from PubChem (CID 89154206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).