2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol

C22H30N2O — CID 122185209

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol
SMILESCCN1CCN(Cc2ccc(CCCc3ccccc3)cc2O)CC1
InChIInChI=1S/C22H30N2O/c1-2-23-13-15-24(16-14-23)18-21-12-11-20(17-22(21)25)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,17,25H,2,6,9-10,13-16,18H2,1H3
InChIKeyKOQKLLZVVSSLAV-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.70
Rot. Bonds7

About 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol

2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol (PubChem CID 122185209) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol
PubChem CID122185209
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol
SMILESCCN1CCN(Cc2ccc(CCCc3ccccc3)cc2O)CC1
InChIInChI=1S/C22H30N2O/c1-2-23-13-15-24(16-14-23)18-21-12-11-20(17-22(21)25)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,17,25H,2,6,9-10,13-16,18H2,1H3
InChIKeyKOQKLLZVVSSLAV-UHFFFAOYSA-N
XLogP3.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol 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

3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
CID 94986
Bialamicol
CID 10304
Rti-5989-25
CID 9840689
1-Benzyl-4-(3-hydroxyphenyl)piperidine
CID 22397839
Bis[(dimethylamino)methyl]phenol
CID 3018067
2,5-Bis((dimethylamino)methyl)hydroquinone
CID 95699
Biallylamicol dihydrochlorde
CID 23616896
1-(3-Hydroxybenzyl)piperidine
CID 826974
SL-3111
CID 9909743
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol (CID 122185209) is 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol is CCN1CCN(Cc2ccc(CCCc3ccccc3)cc2O)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol?
The InChIKey is KOQKLLZVVSSLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-23-13-15-24(16-14-23)18-21-12-11-20(17-22(21)25)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-12,17,25H,2,6,9-10,13-16,18H2,1H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol?
2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol has a molecular weight of 338.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol is sourced from PubChem (CID 122185209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).