4-[(4-piperazin-1-ylanilino)methyl]phenol

C17H21N3O — CID 162654115

IUPAC4-[(4-piperazin-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H21N3O/c21-17-7-1-14(2-8-17)13-19-15-3-5-16(6-4-15)20-11-9-18-10-12-20/h1-8,18-19,21H,9-13H2
InChIKeyRSVQBFYXCKPEHJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds4

About 4-[(4-piperazin-1-ylanilino)methyl]phenol

4-[(4-piperazin-1-ylanilino)methyl]phenol (PubChem CID 162654115) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(4-piperazin-1-ylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(4-piperazin-1-ylanilino)methyl]phenol
PubChem CID162654115
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(4-piperazin-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H21N3O/c21-17-7-1-14(2-8-17)13-19-15-3-5-16(6-4-15)20-11-9-18-10-12-20/h1-8,18-19,21H,9-13H2
InChIKeyRSVQBFYXCKPEHJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[(4-piperazin-1-ylanilino)methyl]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

4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
N-[(3-chlorophenyl)methyl]-4-piperazin-1-ylaniline
CID 162658647
N-[(2-bromophenyl)methyl]-4-piperazin-1-ylaniline
CID 162657146
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
CID 107678054
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
CID 167800061
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
4-(benzylamino)phenol;hydrochloride
CID 16738613

Frequently Asked Questions

What is the IUPAC name of 4-[(4-piperazin-1-ylanilino)methyl]phenol?
The IUPAC name of 4-[(4-piperazin-1-ylanilino)methyl]phenol (CID 162654115) is 4-[(4-piperazin-1-ylanilino)methyl]phenol.
What is the SMILES notation for 4-[(4-piperazin-1-ylanilino)methyl]phenol?
The canonical SMILES for 4-[(4-piperazin-1-ylanilino)methyl]phenol is Oc1ccc(CNc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 4-[(4-piperazin-1-ylanilino)methyl]phenol?
The InChIKey is RSVQBFYXCKPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17-7-1-14(2-8-17)13-19-15-3-5-16(6-4-15)20-11-9-18-10-12-20/h1-8,18-19,21H,9-13H2.
What are the key properties of 4-[(4-piperazin-1-ylanilino)methyl]phenol?
4-[(4-piperazin-1-ylanilino)methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-piperazin-1-ylanilino)methyl]phenol is sourced from PubChem (CID 162654115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).