1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine

C18H31N2O2P — CID 146602524

IUPAC1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine
SMILESCC(C)P(=O)(OCC(C)(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N2O2P/c1-16(2)23(21,22-15-18(3,4)5)20-13-11-19(12-14-20)17-9-7-6-8-10-17/h6-10,16H,11-15H2,1-5H3
InChIKeyTXWWKSWUCFNBDY-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.47
Rot. Bonds5

About 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine

1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine (PubChem CID 146602524) has the molecular formula C18H31N2O2P and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine
PubChem CID146602524
Molecular FormulaC18H31N2O2P
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine
SMILESCC(C)P(=O)(OCC(C)(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H31N2O2P/c1-16(2)23(21,22-15-18(3,4)5)20-13-11-19(12-14-20)17-9-7-6-8-10-17/h6-10,16H,11-15H2,1-5H3
InChIKeyTXWWKSWUCFNBDY-UHFFFAOYSA-N
XLogP4.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine 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

1-(diethoxyphosphorylmethyl)-4-phenylpiperazine
CID 16727523
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
CID 70673095

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine?
The IUPAC name of 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine (CID 146602524) is 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine?
The canonical SMILES for 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine is CC(C)P(=O)(OCC(C)(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine?
The InChIKey is TXWWKSWUCFNBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N2O2P/c1-16(2)23(21,22-15-18(3,4)5)20-13-11-19(12-14-20)17-9-7-6-8-10-17/h6-10,16H,11-15H2,1-5H3.
What are the key properties of 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine?
1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine has a molecular weight of 338.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropoxy(propan-2-yl)phosphoryl]-4-phenylpiperazine is sourced from PubChem (CID 146602524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).