2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde

C10H20N2O — CID 143122582

IUPAC2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde
SMILESCC1CCN(CN(C)CC=O)CC1
InChIInChI=1S/C10H20N2O/c1-10-3-5-12(6-4-10)9-11(2)7-8-13/h8,10H,3-7,9H2,1-2H3
InChIKeySYDGPBJENJSHQH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds4

About 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde

2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde (PubChem CID 143122582) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde
PubChem CID143122582
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde
SMILESCC1CCN(CN(C)CC=O)CC1
InChIInChI=1S/C10H20N2O/c1-10-3-5-12(6-4-10)9-11(2)7-8-13/h8,10H,3-7,9H2,1-2H3
InChIKeySYDGPBJENJSHQH-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(4-methylpiperidin-1-yl)methanamine
CID 20752934
ethane;1-methyl-1-[(4-methylpiperidin-1-yl)methyl]hydrazine
CID 143501227
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine
CID 157328296
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-ethyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
CID 62276168
ethane;1-ethyl-4-methylpiperidine
CID 143737046
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
CID 144798995
1-but-3-enyl-4-methylpiperidine
CID 88972276

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde (CID 143122582) is 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde is CC1CCN(CN(C)CC=O)CC1.
What is the InChIKey of 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde?
The InChIKey is SYDGPBJENJSHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10-3-5-12(6-4-10)9-11(2)7-8-13/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde?
2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde is sourced from PubChem (CID 143122582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).