(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine

C14H23NO2 — CID 97162570

IUPAC(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
SMILESC[C@@H](OCCC[C@H]1CCCCN1)c1ccco1
InChIInChI=1S/C14H23NO2/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyKRAICVKTWPRUDW-CHWSQXEVSA-N
MW237.34 g/mol
LogP3.28
Rot. Bonds6

About (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine

(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine (PubChem CID 97162570) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
PubChem CID97162570
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
SMILESC[C@@H](OCCC[C@H]1CCCCN1)c1ccco1
InChIInChI=1S/C14H23NO2/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyKRAICVKTWPRUDW-CHWSQXEVSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine?
The IUPAC name of (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine (CID 97162570) is (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine.
What is the SMILES notation for (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine?
The canonical SMILES for (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine is C[C@@H](OCCC[C@H]1CCCCN1)c1ccco1.
What is the InChIKey of (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine?
The InChIKey is KRAICVKTWPRUDW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine?
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine has a molecular weight of 237.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine is sourced from PubChem (CID 97162570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).