2-amino-3-piperidin-4-ylpropanal

C8H16N2O — CID 22642524

IUPAC2-amino-3-piperidin-4-ylpropanal
SMILESNC(C=O)CC1CCNCC1
InChIInChI=1S/C8H16N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5,9H2
InChIKeyOTUPVZQDAGYMCZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.10
Rot. Bonds3

About 2-amino-3-piperidin-4-ylpropanal

2-amino-3-piperidin-4-ylpropanal (PubChem CID 22642524) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-3-piperidin-4-ylpropanal.

Molecular Properties

Compound Name2-amino-3-piperidin-4-ylpropanal
PubChem CID22642524
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-3-piperidin-4-ylpropanal
SMILESNC(C=O)CC1CCNCC1
InChIInChI=1S/C8H16N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5,9H2
InChIKeyOTUPVZQDAGYMCZ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylacetaldehyde
CID 23401441
2-amino-3-(1,2-oxazolidin-4-yl)propanal
CID 167481885
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
N,N-diethyl-1-piperidin-4-ylpropan-2-amine
CID 105451801
4-(2-iodopropyl)piperidine
CID 69040321
2-fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
CID 155858423
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
[1-amino-2-(piperidin-4-ylmethylamino)ethyl]phosphonic acid
CID 127053163
acetic acid;piperidin-4-amine
CID 172796704

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-piperidin-4-ylpropanal?
The IUPAC name of 2-amino-3-piperidin-4-ylpropanal (CID 22642524) is 2-amino-3-piperidin-4-ylpropanal.
What is the SMILES notation for 2-amino-3-piperidin-4-ylpropanal?
The canonical SMILES for 2-amino-3-piperidin-4-ylpropanal is NC(C=O)CC1CCNCC1.
What is the InChIKey of 2-amino-3-piperidin-4-ylpropanal?
The InChIKey is OTUPVZQDAGYMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5,9H2.
What are the key properties of 2-amino-3-piperidin-4-ylpropanal?
2-amino-3-piperidin-4-ylpropanal has a molecular weight of 156.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-piperidin-4-ylpropanal is sourced from PubChem (CID 22642524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).