(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine

C10H18N2 — CID 15020431

IUPAC(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine
SMILESC1=CCN(C[C@@H]2CCCCN2)C1
InChIInChI=1S/C10H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,10-11H,1-2,5-9H2/t10-/m0/s1
InChIKeyWBANQUMKGGWGBX-JTQLQIEISA-N
MW166.27 g/mol
LogP1.00
Rot. Bonds2

About (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine

(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine (PubChem CID 15020431) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine
PubChem CID15020431
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine
SMILESC1=CCN(C[C@@H]2CCCCN2)C1
InChIInChI=1S/C10H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,10-11H,1-2,5-9H2/t10-/m0/s1
InChIKeyWBANQUMKGGWGBX-JTQLQIEISA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine?
The IUPAC name of (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine (CID 15020431) is (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine is C1=CCN(C[C@@H]2CCCCN2)C1.
What is the InChIKey of (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine?
The InChIKey is WBANQUMKGGWGBX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,10-11H,1-2,5-9H2/t10-/m0/s1.
What are the key properties of (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine?
(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine has a molecular weight of 166.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine is sourced from PubChem (CID 15020431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).