4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde

C13H24N4O3 — CID 175842564

IUPAC4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCN(C)CC1CN(C(=O)N2CCN(C=O)CC2)CCO1
InChIInChI=1S/C13H24N4O3/c1-14(2)9-12-10-17(7-8-20-12)13(19)16-5-3-15(11-18)4-6-16/h11-12H,3-10H2,1-2H3
InChIKeyBKCRSSPAPSVCLL-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.86
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 175842564) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID175842564
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCN(C)CC1CN(C(=O)N2CCN(C=O)CC2)CCO1
InChIInChI=1S/C13H24N4O3/c1-14(2)9-12-10-17(7-8-20-12)13(19)16-5-3-15(11-18)4-6-16/h11-12H,3-10H2,1-2H3
InChIKeyBKCRSSPAPSVCLL-UHFFFAOYSA-N
XLogP-0.86
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde (CID 175842564) is 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde is CN(C)CC1CN(C(=O)N2CCN(C=O)CC2)CCO1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is BKCRSSPAPSVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-14(2)9-12-10-17(7-8-20-12)13(19)16-5-3-15(11-18)4-6-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of -0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 175842564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).