1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

C14H25NO — CID 62275980

IUPAC1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCN(CC2(C=O)CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-13-6-5-9-15(10-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyYIJMHCFRTPBERC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds3

About 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 62275980) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID62275980
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCN(CC2(C=O)CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-13-6-5-9-15(10-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyYIJMHCFRTPBERC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
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-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 62275980) is 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is CC1CCCN(CC2(C=O)CCCCC2)C1.
What is the InChIKey of 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is YIJMHCFRTPBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13-6-5-9-15(10-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 223.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62275980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).