1-decylpiperidine-3-carbaldehyde

C16H31NO — CID 55195177

IUPAC1-decylpiperidine-3-carbaldehyde
SMILESCCCCCCCCCCN1CCCC(C=O)C1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16(14-17)15-18/h15-16H,2-14H2,1H3
InChIKeyKIMSYCVJMCSCQR-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds10

About 1-decylpiperidine-3-carbaldehyde

1-decylpiperidine-3-carbaldehyde (PubChem CID 55195177) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-decylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-decylpiperidine-3-carbaldehyde
PubChem CID55195177
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-decylpiperidine-3-carbaldehyde
SMILESCCCCCCCCCCN1CCCC(C=O)C1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16(14-17)15-18/h15-16H,2-14H2,1H3
InChIKeyKIMSYCVJMCSCQR-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-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
1-decylpiperidine-4-carbaldehyde
CID 62654458
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
3-ethyl-1-heptylpiperidine
CID 171569576
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-dodecylpiperidine
CID 171569666
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308

Frequently Asked Questions

What is the IUPAC name of 1-decylpiperidine-3-carbaldehyde?
The IUPAC name of 1-decylpiperidine-3-carbaldehyde (CID 55195177) is 1-decylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-decylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-decylpiperidine-3-carbaldehyde is CCCCCCCCCCN1CCCC(C=O)C1.
What is the InChIKey of 1-decylpiperidine-3-carbaldehyde?
The InChIKey is KIMSYCVJMCSCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16(14-17)15-18/h15-16H,2-14H2,1H3.
What are the key properties of 1-decylpiperidine-3-carbaldehyde?
1-decylpiperidine-3-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-3-carbaldehyde is sourced from PubChem (CID 55195177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).