4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol

C23H33N3O2 — CID 70637767

IUPAC4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol
SMILESCCN(CC)CCN1CCN(Cc2ccc(O)c(O)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H33N3O2/c1-3-24(4-2)12-13-25-14-15-26(17-19-10-11-22(27)23(28)16-19)21(18-25)20-8-6-5-7-9-20/h5-11,16,21,27-28H,3-4,12-15,17-18H2,1-2H3
InChIKeyRKLQPYARDTYXRN-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.30
Rot. Bonds8

About 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol

4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol (PubChem CID 70637767) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol
PubChem CID70637767
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol
SMILESCCN(CC)CCN1CCN(Cc2ccc(O)c(O)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H33N3O2/c1-3-24(4-2)12-13-25-14-15-26(17-19-10-11-22(27)23(28)16-19)21(18-25)20-8-6-5-7-9-20/h5-11,16,21,27-28H,3-4,12-15,17-18H2,1-2H3
InChIKeyRKLQPYARDTYXRN-UHFFFAOYSA-N
XLogP3.30
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[3-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanamine
CID 86733025
N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine
CID 54566101
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
CID 68738607
1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylamino)phenol
CID 1247119
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine
CID 112801927

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol (CID 70637767) is 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol is CCN(CC)CCN1CCN(Cc2ccc(O)c(O)c2)C(c2ccccc2)C1.
What is the InChIKey of 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol?
The InChIKey is RKLQPYARDTYXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-24(4-2)12-13-25-14-15-26(17-19-10-11-22(27)23(28)16-19)21(18-25)20-8-6-5-7-9-20/h5-11,16,21,27-28H,3-4,12-15,17-18H2,1-2H3.
What are the key properties of 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol?
4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol has a molecular weight of 383.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(diethylamino)ethyl]-2-phenylpiperazin-1-yl]methyl]benzene-1,2-diol is sourced from PubChem (CID 70637767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).