1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine

C36H79N7O — CID 160662524

IUPAC1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](O)CN1C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15NO.C6H14N2.3C6H13N.C5H11N/c1-3-6-4-7(9)5-8(6)2;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-7,9H,3-5H2,1-2H3;3-6H2,1-2H3;3*2-6H2,1H3;2-5H2,1H3/t6-,7-;;;;;/m1...../s1
InChIKeyRLWDWYSNVSUNDY-YQZHKYNASA-N
MW626.08 g/mol
LogP4.34
Rot. Bonds1

About 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine

1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 160662524) has the molecular formula C36H79N7O and a molecular weight of 626.08 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID160662524
Molecular FormulaC36H79N7O
Molecular Weight626.08 g/mol
Exact Mass625.63
IUPAC Name1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](O)CN1C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15NO.C6H14N2.3C6H13N.C5H11N/c1-3-6-4-7(9)5-8(6)2;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-7,9H,3-5H2,1-2H3;3-6H2,1-2H3;3*2-6H2,1H3;2-5H2,1H3/t6-,7-;;;;;/m1...../s1
InChIKeyRLWDWYSNVSUNDY-YQZHKYNASA-N
XLogP4.34
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.08
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine 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

(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
CID 166010699
5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
(2S,4R)-2,4-diethyl-1-methylpyrrolidine
CID 176937833
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
1-methylpiperidine
CID 90254979
1-methylpiperidine
CID 160757527
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine (CID 160662524) is 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine is CC[C@@H]1C[C@@H](O)CN1C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is RLWDWYSNVSUNDY-YQZHKYNASA-N. The full InChI is InChI=1S/C7H15NO.C6H14N2.3C6H13N.C5H11N/c1-3-6-4-7(9)5-8(6)2;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-7,9H,3-5H2,1-2H3;3-6H2,1-2H3;3*2-6H2,1H3;2-5H2,1H3/t6-,7-;;;;;/m1...../s1.
What are the key properties of 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine?
1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 626.08 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 160662524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).