1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde

C15H33N3O — CID 142812230

IUPAC1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
SMILESC=O.CCN1CCCC(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C8H17N.C6H14N2.CH2O/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(2)6-4-7;1-2/h8H,3-7H2,1-2H3;3-6H2,1-2H3;1H2
InChIKeyRVRQNDGTBXEUMO-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds1

About 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde

1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde (PubChem CID 142812230) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
PubChem CID142812230
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
SMILESC=O.CCN1CCCC(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C8H17N.C6H14N2.CH2O/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(2)6-4-7;1-2/h8H,3-7H2,1-2H3;3-6H2,1-2H3;1H2
InChIKeyRVRQNDGTBXEUMO-UHFFFAOYSA-N
XLogP1.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine, 1,1'-(1,2-ethanediyl)bis[3-methyl-
CID 107031
(3R)-3-methyl-1-(2-piperidin-1-ylethyl)piperidine
CID 52139744
(3S)-3-methyl-1-(2-piperidin-1-ylethyl)piperidine
CID 52139746
3-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 134173817
N,N-dimethylformamide;ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperidine
CID 142390567
1-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperazine
CID 142812231
1-Methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine
CID 142812235
1,4-Dimethylpiperidine;formaldehyde;1-hexylpiperidine
CID 143422571
Formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane
CID 143432580
Ethane;1-ethyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 144042169
1,4-Dimethylpiperazine;1,3-dimethylpiperidine
CID 144878402
4-[(1-Methylpiperidin-4-yl)methyl]piperazine-1-carbaldehyde
CID 145633216

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde?
The IUPAC name of 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde (CID 142812230) is 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde.
What is the SMILES notation for 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde?
The canonical SMILES for 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde is C=O.CCN1CCCC(C)C1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde?
The InChIKey is RVRQNDGTBXEUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C6H14N2.CH2O/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(2)6-4-7;1-2/h8H,3-7H2,1-2H3;3-6H2,1-2H3;1H2.
What are the key properties of 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde?
1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde has a molecular weight of 271.45 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde is sourced from PubChem (CID 142812230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).