4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde

C15H28N2O2 — CID 55175195

IUPAC4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
SMILESCN1CCC(CN(C)CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-7-3-14(4-8-16)11-17(2)12-15(13-18)5-9-19-10-6-15/h13-14H,3-12H2,1-2H3
InChIKeyKEZHDWILVDIDSR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds5

About 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde

4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde (PubChem CID 55175195) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
PubChem CID55175195
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
SMILESCN1CCC(CN(C)CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-7-3-14(4-8-16)11-17(2)12-15(13-18)5-9-19-10-6-15/h13-14H,3-12H2,1-2H3
InChIKeyKEZHDWILVDIDSR-UHFFFAOYSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
CID 65498240
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde (CID 55175195) is 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde is CN1CCC(CN(C)CC2(C=O)CCOCC2)CC1.
What is the InChIKey of 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde?
The InChIKey is KEZHDWILVDIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-7-3-14(4-8-16)11-17(2)12-15(13-18)5-9-19-10-6-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde?
4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde has a molecular weight of 268.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 55175195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).