1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine

C19H30N2O3 — CID 50956772

IUPAC1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
SMILESCCOc1cccc(OCCN2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-2-22-17-5-3-6-18(15-17)24-14-12-20-8-10-21(11-9-20)16-19-7-4-13-23-19/h3,5-6,15,19H,2,4,7-14,16H2,1H3
InChIKeyDBNNSPJQRWPGAR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.26
Rot. Bonds8

About 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine

1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 50956772) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
PubChem CID50956772
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
SMILESCCOc1cccc(OCCN2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-2-22-17-5-3-6-18(15-17)24-14-12-20-8-10-21(11-9-20)16-19-7-4-13-23-19/h3,5-6,15,19H,2,4,7-14,16H2,1H3
InChIKeyDBNNSPJQRWPGAR-UHFFFAOYSA-N
XLogP2.26
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
CID 39373253
9-[2-(3-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136238
3-(3-chlorophenoxy)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 55678709
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
[4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78789266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine (CID 50956772) is 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine is CCOc1cccc(OCCN2CCN(CC3CCCO3)CC2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is DBNNSPJQRWPGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-22-17-5-3-6-18(15-17)24-14-12-20-8-10-21(11-9-20)16-19-7-4-13-23-19/h3,5-6,15,19H,2,4,7-14,16H2,1H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine?
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 334.46 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 50956772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).