(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine

C11H18N2O — CID 97162337

IUPAC(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
SMILESC[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeyRFTQLCODCMIWRS-VHSXEESVSA-N
MW194.28 g/mol
LogP1.84
Rot. Bonds3

About (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine

(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine (PubChem CID 97162337) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
PubChem CID97162337
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
SMILESC[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeyRFTQLCODCMIWRS-VHSXEESVSA-N
XLogP1.84
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The IUPAC name of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine (CID 97162337) is (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The canonical SMILES for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine is C[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1.
What is the InChIKey of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The InChIKey is RFTQLCODCMIWRS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine is sourced from PubChem (CID 97162337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).