1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

C15H27NO — CID 62277038

IUPAC1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCCC1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-14-6-10-16(11-7-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3
InChIKeyWUGWDQUALJREOX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds4

About 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 62277038) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID62277038
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCCC1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-14-6-10-16(11-7-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3
InChIKeyWUGWDQUALJREOX-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 62277038) is 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is CCC1CCN(CC2(C=O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is WUGWDQUALJREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-14-6-10-16(11-7-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 237.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62277038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).