2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde

C8H16N2O — CID 116939114

IUPAC2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
SMILESCN1CCC(C(N)C=O)CC1
InChIInChI=1S/C8H16N2O/c1-10-4-2-7(3-5-10)8(9)6-11/h6-8H,2-5,9H2,1H3
InChIKeyKHIVVQPPRPJTBN-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.15
Rot. Bonds2

About 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde

2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde (PubChem CID 116939114) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
PubChem CID116939114
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
SMILESCN1CCC(C(N)C=O)CC1
InChIInChI=1S/C8H16N2O/c1-10-4-2-7(3-5-10)8(9)6-11/h6-8H,2-5,9H2,1H3
InChIKeyKHIVVQPPRPJTBN-UHFFFAOYSA-N
XLogP-0.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
CID 168935659
2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
CID 105471541
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
(1-methylpiperidin-4-yl)methanediol
CID 21366498
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
CID 57201068
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024
1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
CID 159863431

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde?
The IUPAC name of 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde (CID 116939114) is 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde?
The canonical SMILES for 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde is CN1CCC(C(N)C=O)CC1.
What is the InChIKey of 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde?
The InChIKey is KHIVVQPPRPJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-4-2-7(3-5-10)8(9)6-11/h6-8H,2-5,9H2,1H3.
What are the key properties of 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde?
2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde has a molecular weight of 156.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde is sourced from PubChem (CID 116939114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).