1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine

C28H64N5O4P3 — CID 159761394

IUPAC1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine
SMILESCN1CCN(CCCP(C)(C)=O)CC1.CP(C)(=O)CCCN1CCNCC1.CP(C)(=O)CCCN1CCOCC1
InChIInChI=1S/C10H23N2OP.C9H21N2OP.C9H20NO2P/c1-11-6-8-12(9-7-11)5-4-10-14(2,3)13;1-13(2,12)9-3-6-11-7-4-10-5-8-11;1-13(2,11)9-3-4-10-5-7-12-8-6-10/h4-10H2,1-3H3;10H,3-9H2,1-2H3;3-9H2,1-2H3
InChIKeyNEXXIFCVPIMUDH-UHFFFAOYSA-N
MW627.77 g/mol
LogP3.48
Rot. Bonds12

About 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine

1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine (PubChem CID 159761394) has the molecular formula C28H64N5O4P3 and a molecular weight of 627.77 g/mol. Its IUPAC name is 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine
PubChem CID159761394
Molecular FormulaC28H64N5O4P3
Molecular Weight627.77 g/mol
Exact Mass627.42
IUPAC Name1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine
SMILESCN1CCN(CCCP(C)(C)=O)CC1.CP(C)(=O)CCCN1CCNCC1.CP(C)(=O)CCCN1CCOCC1
InChIInChI=1S/C10H23N2OP.C9H21N2OP.C9H20NO2P/c1-11-6-8-12(9-7-11)5-4-10-14(2,3)13;1-13(2,12)9-3-6-11-7-4-10-5-8-11;1-13(2,11)9-3-4-10-5-7-12-8-6-10/h4-10H2,1-3H3;10H,3-9H2,1-2H3;3-9H2,1-2H3
InChIKeyNEXXIFCVPIMUDH-UHFFFAOYSA-N
XLogP3.48
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
CID 174304183
1-(3-diethoxyphosphorylpropyl)piperazine
CID 129245164
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
1-ethyl-4-methylpiperazine;morpholine
CID 145383471
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
1,4-dimethylpiperazine;morpholine
CID 157159572
1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 167590242
1-(3-morpholin-4-ylpropyl)piperazin-2-one
CID 57445037
4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
CID 82243837
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine?
The IUPAC name of 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine (CID 159761394) is 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine.
What is the SMILES notation for 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine?
The canonical SMILES for 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine is CN1CCN(CCCP(C)(C)=O)CC1.CP(C)(=O)CCCN1CCNCC1.CP(C)(=O)CCCN1CCOCC1.
What is the InChIKey of 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine?
The InChIKey is NEXXIFCVPIMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2OP.C9H21N2OP.C9H20NO2P/c1-11-6-8-12(9-7-11)5-4-10-14(2,3)13;1-13(2,12)9-3-6-11-7-4-10-5-8-11;1-13(2,11)9-3-4-10-5-7-12-8-6-10/h4-10H2,1-3H3;10H,3-9H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine?
1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine has a molecular weight of 627.77 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine is sourced from PubChem (CID 159761394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).