2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde

C8H16N2O — CID 87393131

IUPAC2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde
SMILESC[C@@H]1C[C@@H](N)CN(CC=O)C1
InChIInChI=1S/C8H16N2O/c1-7-4-8(9)6-10(5-7)2-3-11/h3,7-8H,2,4-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyYTOIDNPMDZDPNC-HTQZYQBOSA-N
MW156.23 g/mol
LogP-0.15
Rot. Bonds2

About 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde

2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde (PubChem CID 87393131) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde
PubChem CID87393131
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde
SMILESC[C@@H]1C[C@@H](N)CN(CC=O)C1
InChIInChI=1S/C8H16N2O/c1-7-4-8(9)6-10(5-7)2-3-11/h3,7-8H,2,4-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyYTOIDNPMDZDPNC-HTQZYQBOSA-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

1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine
CID 79993012
5-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine
CID 79993699
5-methyl-1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 79992771
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
1-(3-methoxypropyl)-5-methylpiperidin-3-amine
CID 79993292
3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
CID 79994371
5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine
CID 130506311
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CID 112590949
3-(3-amino-5-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79994375
2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 79994387
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde (CID 87393131) is 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde is C[C@@H]1C[C@@H](N)CN(CC=O)C1.
What is the InChIKey of 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde?
The InChIKey is YTOIDNPMDZDPNC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-4-8(9)6-10(5-7)2-3-11/h3,7-8H,2,4-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde?
2-[(3R,5R)-3-amino-5-methylpiperidin-1-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-[(3R,5R)-3-amino-5-methylpiperidin-1-yl]acetaldehyde is sourced from PubChem (CID 87393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).