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

C32H37N3P2 — CID 122550633

IUPACN,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCN(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H37N3P2/c1-33-25-27-34(28-26-33)23-14-24-35(36(29-15-6-2-7-16-29)30-17-8-3-9-18-30)37(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22H,14,23-28H2,1H3
InChIKeyBNZNVWPMCFIBOB-UHFFFAOYSA-N
MW525.62 g/mol
LogP5.02
Rot. Bonds10

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

N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 122550633) has the molecular formula C32H37N3P2 and a molecular weight of 525.62 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID122550633
Molecular FormulaC32H37N3P2
Molecular Weight525.62 g/mol
Exact Mass525.25
IUPAC NameN,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCN(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H37N3P2/c1-33-25-27-34(28-26-33)23-14-24-35(36(29-15-6-2-7-16-29)30-17-8-3-9-18-30)37(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22H,14,23-28H2,1H3
InChIKeyBNZNVWPMCFIBOB-UHFFFAOYSA-N
XLogP5.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 55.02
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-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122548841
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
N-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 57146465
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline;dihydrochloride
CID 131882712
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 122550633) is N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCN(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is BNZNVWPMCFIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3P2/c1-33-25-27-34(28-26-33)23-14-24-35(36(29-15-6-2-7-16-29)30-17-8-3-9-18-30)37(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22H,14,23-28H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 525.62 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 122550633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).