2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol

C25H36N2O — CID 3349855

IUPAC2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol
SMILESCC(C)(C)C(C)(C)Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H36N2O/c1-24(2,3)25(4,5)18-20-11-12-23(28)21(17-20)19-26-13-15-27(16-14-26)22-9-7-6-8-10-22/h6-12,17,28H,13-16,18-19H2,1-5H3
InChIKeyWZZAMHDJKBXHSW-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.33
Rot. Bonds5

About 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol

2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol (PubChem CID 3349855) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol.

Molecular Properties

Compound Name2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol
PubChem CID3349855
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol
SMILESCC(C)(C)C(C)(C)Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H36N2O/c1-24(2,3)25(4,5)18-20-11-12-23(28)21(17-20)19-26-13-15-27(16-14-26)22-9-7-6-8-10-22/h6-12,17,28H,13-16,18-19H2,1-5H3
InChIKeyWZZAMHDJKBXHSW-UHFFFAOYSA-N
XLogP5.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)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-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
2-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135492287
US10934303, Example 20
CID 137348774
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
3-{4-[2-Hydroxy-5-(1,1,3,3-tetramethyl-butyl)-benzyl]-piperazin-1-yl}-propionitrile
CID 3101523
2-{[4-(Diethylamino)piperidin-1-Yl]methyl}-6-Iodo-4-[3-(Phenylamino)prop-1-Yn-1-Yl]phenol
CID 56844250
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
3-[(7R,8R,9aR)-2-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094376
3-[(7R,8R,9aR)-7,8-dimethyl-2-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094419
3-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850463
3-[(2S,5R)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 53355391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol?
The IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol (CID 3349855) is 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol.
What is the SMILES notation for 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol?
The canonical SMILES for 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol is CC(C)(C)C(C)(C)Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol?
The InChIKey is WZZAMHDJKBXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-24(2,3)25(4,5)18-20-11-12-23(28)21(17-20)19-26-13-15-27(16-14-26)22-9-7-6-8-10-22/h6-12,17,28H,13-16,18-19H2,1-5H3.
What are the key properties of 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol?
2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol has a molecular weight of 380.58 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperazin-1-yl)methyl]-4-(2,2,3,3-tetramethylbutyl)phenol is sourced from PubChem (CID 3349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).