1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine

C20H32N2O — CID 124750935

IUPAC1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCC[C@H]1CCCN1Cc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C20H32N2O/c1-2-19-10-8-14-22(19)17-18-9-4-5-11-20(18)23-16-15-21-12-6-3-7-13-21/h4-5,9,11,19H,2-3,6-8,10,12-17H2,1H3/t19-/m0/s1
InChIKeyFKBCACRDGBTFQG-IBGZPJMESA-N
MW316.49 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine

1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine (PubChem CID 124750935) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
PubChem CID124750935
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCC[C@H]1CCCN1Cc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C20H32N2O/c1-2-19-10-8-14-22(19)17-18-9-4-5-11-20(18)23-16-15-21-12-6-3-7-13-21/h4-5,9,11,19H,2-3,6-8,10,12-17H2,1H3/t19-/m0/s1
InChIKeyFKBCACRDGBTFQG-IBGZPJMESA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 99927817
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
(1R,5S)-3-methyl-6-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133133786
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine (CID 124750935) is 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine is CC[C@H]1CCCN1Cc1ccccc1OCCN1CCCCC1.
What is the InChIKey of 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine?
The InChIKey is FKBCACRDGBTFQG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-19-10-8-14-22(19)17-18-9-4-5-11-20(18)23-16-15-21-12-6-3-7-13-21/h4-5,9,11,19H,2-3,6-8,10,12-17H2,1H3/t19-/m0/s1.
What are the key properties of 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine?
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine has a molecular weight of 316.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 124750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).