2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C18H30N2O3 — CID 45173043

IUPAC2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(OCCO)cc2)CC1CCO
InChIInChI=1S/C18H30N2O3/c1-15(2)20-9-8-19(14-17(20)7-10-21)13-16-3-5-18(6-4-16)23-12-11-22/h3-6,15,17,21-22H,7-14H2,1-2H3
InChIKeyVRQHVWKPRHKUJZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.33
Rot. Bonds8

About 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 45173043) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID45173043
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(OCCO)cc2)CC1CCO
InChIInChI=1S/C18H30N2O3/c1-15(2)20-9-8-19(14-17(20)7-10-21)13-16-3-5-18(6-4-16)23-12-11-22/h3-6,15,17,21-22H,7-14H2,1-2H3
InChIKeyVRQHVWKPRHKUJZ-UHFFFAOYSA-N
XLogP1.33
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
2-[(2R)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98566789
2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28730365
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51636089
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]methyl]phenyl]acetamide
CID 98589494
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218
2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 51903567
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 45173043) is 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2ccc(OCCO)cc2)CC1CCO.
What is the InChIKey of 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is VRQHVWKPRHKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-15(2)20-9-8-19(14-17(20)7-10-21)13-16-3-5-18(6-4-16)23-12-11-22/h3-6,15,17,21-22H,7-14H2,1-2H3.
What are the key properties of 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 322.45 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45173043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).