4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid

C15H25NO5 — CID 142964787

IUPAC4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(COC2CCC(C(=O)O)CC2)N(C=O)C1
InChIInChI=1S/C15H25NO5/c1-20-14-7-4-12(16(8-14)10-17)9-21-13-5-2-11(3-6-13)15(18)19/h10-14H,2-9H2,1H3,(H,18,19)
InChIKeyZQZHJFLLCLLWSS-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.28
Rot. Bonds6

About 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid

4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 142964787) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID142964787
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(COC2CCC(C(=O)O)CC2)N(C=O)C1
InChIInChI=1S/C15H25NO5/c1-20-14-7-4-12(16(8-14)10-17)9-21-13-5-2-11(3-6-13)15(18)19/h10-14H,2-9H2,1H3,(H,18,19)
InChIKeyZQZHJFLLCLLWSS-UHFFFAOYSA-N
XLogP1.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778865
tert-butyl (2S,5R)-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778846
4-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
4-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 103032588
4-(2,2-dimethylpropoxy)cyclohexane-1-carboxylic acid
CID 166848730
(2S,5S)-1-acetyl-5-methoxypiperidine-2-carbaldehyde
CID 130291367
methyl 4-[[(2R,3S)-3-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778556
(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
CID 145123697
4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
CID 114451265
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
4-but-3-enoxycyclohexane-1-carboxylic acid
CID 114451318
4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023854

Frequently Asked Questions

What is the IUPAC name of 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid (CID 142964787) is 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid is COC1CCC(COC2CCC(C(=O)O)CC2)N(C=O)C1.
What is the InChIKey of 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is ZQZHJFLLCLLWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-20-14-7-4-12(16(8-14)10-17)9-21-13-5-2-11(3-6-13)15(18)19/h10-14H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid?
4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142964787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).