1-ethylpiperidine-3-carbaldehyde;hydrochloride

C8H16ClNO — CID 53398879

IUPAC1-ethylpiperidine-3-carbaldehyde;hydrochloride
SMILESCCN1CCCC(C=O)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-9-5-3-4-8(6-9)7-10;/h7-8H,2-6H2,1H3;1H
InChIKeyIEMKRGCIYBECJP-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds2

About 1-ethylpiperidine-3-carbaldehyde;hydrochloride

1-ethylpiperidine-3-carbaldehyde;hydrochloride (PubChem CID 53398879) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-ethylpiperidine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1-ethylpiperidine-3-carbaldehyde;hydrochloride
PubChem CID53398879
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-ethylpiperidine-3-carbaldehyde;hydrochloride
SMILESCCN1CCCC(C=O)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-9-5-3-4-8(6-9)7-10;/h7-8H,2-6H2,1H3;1H
InChIKeyIEMKRGCIYBECJP-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-Acetylpiperidine-3-carbaldehyde
CID 54038629
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
2-Fluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 55266596
1-(2,2,2-Trifluoroethyl)piperidine-3-carbaldehyde
CID 62654563
1-(2,2-Difluoroethyl)piperidine-3-carbaldehyde
CID 62662209
1-(3,3,3-Trifluoropropyl)piperidine-3-carbaldehyde
CID 64566161
1-(2-Fluoroethyl)piperidine-3-carbaldehyde
CID 80694971
1-(3-Fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
1-(3,3-Difluoropropyl)piperidine-3-carbaldehyde
CID 84663154
1-(2,2-Difluoropropyl)piperidine-3-carbaldehyde
CID 84663157
1-(3,3-Difluorobutyl)piperidine-3-carbaldehyde
CID 84673167

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-3-carbaldehyde;hydrochloride?
The IUPAC name of 1-ethylpiperidine-3-carbaldehyde;hydrochloride (CID 53398879) is 1-ethylpiperidine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 1-ethylpiperidine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 1-ethylpiperidine-3-carbaldehyde;hydrochloride is CCN1CCCC(C=O)C1.Cl.
What is the InChIKey of 1-ethylpiperidine-3-carbaldehyde;hydrochloride?
The InChIKey is IEMKRGCIYBECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-9-5-3-4-8(6-9)7-10;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 1-ethylpiperidine-3-carbaldehyde;hydrochloride?
1-ethylpiperidine-3-carbaldehyde;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 53398879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).