4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol

C19H24N2O2 — CID 754014

IUPAC4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCCOc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C19H24N2O2/c1-2-23-19-6-4-3-5-18(19)21-13-11-20(12-14-21)15-16-7-9-17(22)10-8-16/h3-10,22H,2,11-15H2,1H3
InChIKeyQQIUSJLWAMSITF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.11
Rot. Bonds5

About 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol

4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 754014) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
PubChem CID754014
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCCOc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C19H24N2O2/c1-2-23-19-6-4-3-5-18(19)21-13-11-20(12-14-21)15-16-7-9-17(22)10-8-16/h3-10,22H,2,11-15H2,1H3
InChIKeyQQIUSJLWAMSITF-UHFFFAOYSA-N
XLogP3.11
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791208
1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 2845250
2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 2095519
2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1376813
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
6-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 4816117
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol (CID 754014) is 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol is CCOc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is QQIUSJLWAMSITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-23-19-6-4-3-5-18(19)21-13-11-20(12-14-21)15-16-7-9-17(22)10-8-16/h3-10,22H,2,11-15H2,1H3.
What are the key properties of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol?
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 754014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).