(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine

C9H13FN2 — CID 130657290

IUPAC(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine
SMILESFc1[nH]ccc1[C@H]1CCCCN1
InChIInChI=1S/C9H13FN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m1/s1
InChIKeyQHALHSLCWJBWOF-MRVPVSSYSA-N
MW168.22 g/mol
LogP1.97
Rot. Bonds1

About (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine

(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine (PubChem CID 130657290) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine
PubChem CID130657290
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine
SMILESFc1[nH]ccc1[C@H]1CCCCN1
InChIInChI=1S/C9H13FN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m1/s1
InChIKeyQHALHSLCWJBWOF-MRVPVSSYSA-N
XLogP1.97
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
CID 130624671
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
2-(2-cyclopentylphenyl)piperidine
CID 115005914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine?
The IUPAC name of (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine (CID 130657290) is (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine.
What is the SMILES notation for (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine?
The canonical SMILES for (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine is Fc1[nH]ccc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine?
The InChIKey is QHALHSLCWJBWOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine?
(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine has a molecular weight of 168.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 130657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).