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

C13H22N2O — CID 71638020

IUPAC3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
SMILESCC(OCCC1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C13H22N2O/c1-11(13-5-3-8-15-13)16-9-6-12-4-2-7-14-10-12/h3,5,8,11-12,14-15H,2,4,6-7,9-10H2,1H3
InChIKeySXTVTPRCXKXUBC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds5

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

3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine (PubChem CID 71638020) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
PubChem CID71638020
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
SMILESCC(OCCC1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C13H22N2O/c1-11(13-5-3-8-15-13)16-9-6-12-4-2-7-14-10-12/h3,5,8,11-12,14-15H,2,4,6-7,9-10H2,1H3
InChIKeySXTVTPRCXKXUBC-UHFFFAOYSA-N
XLogP2.48
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
CID 71638021
(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
CID 97162337
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
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine (CID 71638020) is 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine is CC(OCCC1CCCNC1)c1ccc[nH]1.
What is the InChIKey of 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine?
The InChIKey is SXTVTPRCXKXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-5-3-8-15-13)16-9-6-12-4-2-7-14-10-12/h3,5,8,11-12,14-15H,2,4,6-7,9-10H2,1H3.
What are the key properties of 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine?
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine has a molecular weight of 222.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 71638020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).