1-decylpiperidine-4-carbaldehyde

C16H31NO — CID 62654458

IUPAC1-decylpiperidine-4-carbaldehyde
SMILESCCCCCCCCCCN1CCC(C=O)CC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-16(15-18)11-14-17/h15-16H,2-14H2,1H3
InChIKeyNTEQOFJWSMADSI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds10

About 1-decylpiperidine-4-carbaldehyde

1-decylpiperidine-4-carbaldehyde (PubChem CID 62654458) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-decylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-decylpiperidine-4-carbaldehyde
PubChem CID62654458
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-decylpiperidine-4-carbaldehyde
SMILESCCCCCCCCCCN1CCC(C=O)CC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-16(15-18)11-14-17/h15-16H,2-14H2,1H3
InChIKeyNTEQOFJWSMADSI-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decylpiperidine-3-carbaldehyde
CID 55195177
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
4-fluoro-1-octylpiperidine
CID 130358850
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
CID 63196126
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylpiperidin-4-ol
CID 62022103
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octylpiperidine-4-carboxylic acid
CID 14745626

Frequently Asked Questions

What is the IUPAC name of 1-decylpiperidine-4-carbaldehyde?
The IUPAC name of 1-decylpiperidine-4-carbaldehyde (CID 62654458) is 1-decylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-decylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-decylpiperidine-4-carbaldehyde is CCCCCCCCCCN1CCC(C=O)CC1.
What is the InChIKey of 1-decylpiperidine-4-carbaldehyde?
The InChIKey is NTEQOFJWSMADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-16(15-18)11-14-17/h15-16H,2-14H2,1H3.
What are the key properties of 1-decylpiperidine-4-carbaldehyde?
1-decylpiperidine-4-carbaldehyde has a molecular weight of 253.43 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpiperidine-4-carbaldehyde is sourced from PubChem (CID 62654458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).