N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C21H30N3P — CID 122548841

IUPACN-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCN(C)P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H30N3P/c1-22-16-18-24(19-17-22)15-9-14-23(2)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
InChIKeyANDIEBOUFWABTC-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.60
Rot. Bonds7

About N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 122548841) has the molecular formula C21H30N3P and a molecular weight of 355.47 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID122548841
Molecular FormulaC21H30N3P
Molecular Weight355.47 g/mol
Exact Mass355.22
IUPAC NameN-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCN(C)P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H30N3P/c1-22-16-18-24(19-17-22)15-9-14-23(2)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
InChIKeyANDIEBOUFWABTC-UHFFFAOYSA-N
XLogP2.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122550633
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
N-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 57146465
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 122548841) is N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCN(C)P(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is ANDIEBOUFWABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N3P/c1-22-16-18-24(19-17-22)15-9-14-23(2)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3.
What are the key properties of N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 355.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 122548841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).