3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride

C13H22ClNO2 — CID 71638021

IUPAC3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
SMILESCC(OCCC1CCCNC1)c1ccco1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11(13-5-3-8-16-13)15-9-6-12-4-2-7-14-10-12;/h3,5,8,11-12,14H,2,4,6-7,9-10H2,1H3;1H
InChIKeyNDKQNKLKJFGOML-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.17
Rot. Bonds5

About 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride

3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride (PubChem CID 71638021) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
PubChem CID71638021
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
SMILESCC(OCCC1CCCNC1)c1ccco1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11(13-5-3-8-16-13)15-9-6-12-4-2-7-14-10-12;/h3,5,8,11-12,14H,2,4,6-7,9-10H2,1H3;1H
InChIKeyNDKQNKLKJFGOML-UHFFFAOYSA-N
XLogP3.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine
CID 71638034
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
CID 71638020
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
CID 97162570
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride (CID 71638021) is 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride is CC(OCCC1CCCNC1)c1ccco1.Cl.
What is the InChIKey of 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride?
The InChIKey is NDKQNKLKJFGOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-11(13-5-3-8-16-13)15-9-6-12-4-2-7-14-10-12;/h3,5,8,11-12,14H,2,4,6-7,9-10H2,1H3;1H.
What are the key properties of 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride?
3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 71638021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).