4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde

C17H29NO — CID 89013254

IUPAC4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde
SMILESCCC1(CCCC2=CCC(C=O)CC2)CCNCC1
InChIInChI=1S/C17H29NO/c1-2-17(10-12-18-13-11-17)9-3-4-15-5-7-16(14-19)8-6-15/h5,14,16,18H,2-4,6-13H2,1H3
InChIKeyJHTHCNGHXYLKGP-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.86
Rot. Bonds6

About 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde

4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 89013254) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde
PubChem CID89013254
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde
SMILESCCC1(CCCC2=CCC(C=O)CC2)CCNCC1
InChIInChI=1S/C17H29NO/c1-2-17(10-12-18-13-11-17)9-3-4-15-5-7-16(14-19)8-6-15/h5,14,16,18H,2-4,6-13H2,1H3
InChIKeyJHTHCNGHXYLKGP-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde (CID 89013254) is 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde is CCC1(CCCC2=CCC(C=O)CC2)CCNCC1.
What is the InChIKey of 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde?
The InChIKey is JHTHCNGHXYLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-17(10-12-18-13-11-17)9-3-4-15-5-7-16(14-19)8-6-15/h5,14,16,18H,2-4,6-13H2,1H3.
What are the key properties of 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde?
4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 263.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylpiperidin-4-yl)propyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 89013254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).