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

C14H25NO2 — CID 62276005

IUPAC1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCOC1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-17-13-5-9-15(10-6-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyHRBNYGFEDBCKJY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds4

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

1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 62276005) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID62276005
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCOC1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-17-13-5-9-15(10-6-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyHRBNYGFEDBCKJY-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391619
1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 82691382
1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cycloheptane-1-carbaldehyde
CID 114221540
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845
1-(pyrrolidin-1-ylmethyl)cyclobutane-1-carbaldehyde
CID 143181443
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276780
1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde
CID 62278265
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
1-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 114800018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 62276005) is 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is COC1CCN(CC2(C=O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is HRBNYGFEDBCKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-17-13-5-9-15(10-6-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62276005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).