1-hexylpiperidine-2-carbaldehyde

C12H23NO — CID 62655866

IUPAC1-hexylpiperidine-2-carbaldehyde
SMILESCCCCCCN1CCCCC1C=O
InChIInChI=1S/C12H23NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h11-12H,2-10H2,1H3
InChIKeySTGCMGYMJGYCQA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds6

About 1-hexylpiperidine-2-carbaldehyde

1-hexylpiperidine-2-carbaldehyde (PubChem CID 62655866) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-hexylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hexylpiperidine-2-carbaldehyde
PubChem CID62655866
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-hexylpiperidine-2-carbaldehyde
SMILESCCCCCCN1CCCCC1C=O
InChIInChI=1S/C12H23NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h11-12H,2-10H2,1H3
InChIKeySTGCMGYMJGYCQA-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.62
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-heptylpiperidine-2-carbaldehyde
CID 62655864
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
CID 155394978
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-dodecyl-2-ethylpiperidine
CID 171569899
2-butyl-1-hexylpiperidine
CID 171569565
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
1-butyl-2-ethenylpyrrolidine
CID 11332575
2-methyl-1-pentylazepane
CID 134994557
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140

Frequently Asked Questions

What is the IUPAC name of 1-hexylpiperidine-2-carbaldehyde?
The IUPAC name of 1-hexylpiperidine-2-carbaldehyde (CID 62655866) is 1-hexylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-hexylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-hexylpiperidine-2-carbaldehyde is CCCCCCN1CCCCC1C=O.
What is the InChIKey of 1-hexylpiperidine-2-carbaldehyde?
The InChIKey is STGCMGYMJGYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-hexylpiperidine-2-carbaldehyde?
1-hexylpiperidine-2-carbaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpiperidine-2-carbaldehyde is sourced from PubChem (CID 62655866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).