2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol

C21H29N3O2 — CID 45185452

IUPAC2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(Cc2ccccn2)CC1CCO
InChIInChI=1S/C21H29N3O2/c1-2-26-21-9-4-3-7-18(21)15-24-13-12-23(17-20(24)10-14-25)16-19-8-5-6-11-22-19/h3-9,11,20,25H,2,10,12-17H2,1H3
InChIKeyMWBOINUUCRVFAE-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.55
Rot. Bonds8

About 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol

2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45185452) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45185452
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(Cc2ccccn2)CC1CCO
InChIInChI=1S/C21H29N3O2/c1-2-26-21-9-4-3-7-18(21)15-24-13-12-23(17-20(24)10-14-25)16-19-8-5-6-11-22-19/h3-9,11,20,25H,2,10,12-17H2,1H3
InChIKeyMWBOINUUCRVFAE-UHFFFAOYSA-N
XLogP2.55
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol (CID 45185452) is 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol is CCOc1ccccc1CN1CCN(Cc2ccccn2)CC1CCO.
What is the InChIKey of 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is MWBOINUUCRVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-26-21-9-4-3-7-18(21)15-24-13-12-23(17-20(24)10-14-25)16-19-8-5-6-11-22-19/h3-9,11,20,25H,2,10,12-17H2,1H3.
What are the key properties of 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol?
2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 355.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).