1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde

C16H31NO4 — CID 174601055

IUPAC1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde
SMILESCCCCCCCCCCN1CC(O)C(O)C(O)C1C=O
InChIInChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-17-11-14(19)16(21)15(20)13(17)12-18/h12-16,19-21H,2-11H2,1H3
InChIKeyAOHPJDWBOJQEAW-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.09
Rot. Bonds10

About 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde

1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde (PubChem CID 174601055) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde
PubChem CID174601055
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde
SMILESCCCCCCCCCCN1CC(O)C(O)C(O)C1C=O
InChIInChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-17-11-14(19)16(21)15(20)13(17)12-18/h12-16,19-21H,2-11H2,1H3
InChIKeyAOHPJDWBOJQEAW-UHFFFAOYSA-N
XLogP1.09
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde?
The IUPAC name of 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde (CID 174601055) is 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde.
What is the SMILES notation for 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde?
The canonical SMILES for 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde is CCCCCCCCCCN1CC(O)C(O)C(O)C1C=O.
What is the InChIKey of 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde?
The InChIKey is AOHPJDWBOJQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-17-11-14(19)16(21)15(20)13(17)12-18/h12-16,19-21H,2-11H2,1H3.
What are the key properties of 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde?
1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde has a molecular weight of 301.43 g/mol, XLogP of 1.09, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,4,5-trihydroxypiperidine-2-carbaldehyde is sourced from PubChem (CID 174601055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).