5-amino-2-piperidin-2-ylpentanal

C10H20N2O — CID 171815002

IUPAC5-amino-2-piperidin-2-ylpentanal
SMILESNCCCC(C=O)C1CCCCN1
InChIInChI=1S/C10H20N2O/c11-6-3-4-9(8-13)10-5-1-2-7-12-10/h8-10,12H,1-7,11H2
InChIKeySTHUAABCOLUKFF-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.68
Rot. Bonds5

About 5-amino-2-piperidin-2-ylpentanal

5-amino-2-piperidin-2-ylpentanal (PubChem CID 171815002) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-amino-2-piperidin-2-ylpentanal.

Molecular Properties

Compound Name5-amino-2-piperidin-2-ylpentanal
PubChem CID171815002
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-amino-2-piperidin-2-ylpentanal
SMILESNCCCC(C=O)C1CCCCN1
InChIInChI=1S/C10H20N2O/c11-6-3-4-9(8-13)10-5-1-2-7-12-10/h8-10,12H,1-7,11H2
InChIKeySTHUAABCOLUKFF-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.68
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

dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598
(2R)-piperidine-2-carbaldehyde;hydrochloride
CID 131884313
(Z)-4-piperidin-2-ylbut-3-en-1-amine
CID 117267610
dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
CID 24838597
1-piperidin-2-ylprop-2-en-1-ol
CID 106634606
dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
CID 24837362
(2R)-4-methyl-2-[(2R)-piperidin-2-yl]pentan-1-amine
CID 95241639
(2R)-4-methyl-2-[(2S)-piperidin-2-yl]pentan-1-amine
CID 95241637
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-piperidin-2-ylpentanal?
The IUPAC name of 5-amino-2-piperidin-2-ylpentanal (CID 171815002) is 5-amino-2-piperidin-2-ylpentanal.
What is the SMILES notation for 5-amino-2-piperidin-2-ylpentanal?
The canonical SMILES for 5-amino-2-piperidin-2-ylpentanal is NCCCC(C=O)C1CCCCN1.
What is the InChIKey of 5-amino-2-piperidin-2-ylpentanal?
The InChIKey is STHUAABCOLUKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-6-3-4-9(8-13)10-5-1-2-7-12-10/h8-10,12H,1-7,11H2.
What are the key properties of 5-amino-2-piperidin-2-ylpentanal?
5-amino-2-piperidin-2-ylpentanal has a molecular weight of 184.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-piperidin-2-ylpentanal is sourced from PubChem (CID 171815002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).