4-cyclohexyl-4-formylpiperidine-1-carboxylic acid

C13H21NO3 — CID 22185326

IUPAC4-cyclohexyl-4-formylpiperidine-1-carboxylic acid
SMILESO=CC1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C13H21NO3/c15-10-13(11-4-2-1-3-5-11)6-8-14(9-7-13)12(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyWBHMNCSLGXNCSL-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.53
Rot. Bonds2

About 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid

4-cyclohexyl-4-formylpiperidine-1-carboxylic acid (PubChem CID 22185326) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-formylpiperidine-1-carboxylic acid
PubChem CID22185326
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-cyclohexyl-4-formylpiperidine-1-carboxylic acid
SMILESO=CC1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C13H21NO3/c15-10-13(11-4-2-1-3-5-11)6-8-14(9-7-13)12(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyWBHMNCSLGXNCSL-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate
CID 21018688
4-Cyclohexyl-4-(3-oxo-propyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 21023777
4-Cyclohexyl-4-formylpiperidine-1-carboxylic acid tert-butyl ester
CID 21936875
4-Cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid
CID 22185349
Tert-butyl 4-formyl piperidine-1-carboxylic acid
CID 22258792
4-Cyclohexyl-1-methylpiperidine-4-carbaldehyde
CID 23388595
4-Cyclohexyl-4-propanoylpiperidine-1-carboxylic acid
CID 66988173
(2R,5S)-2-tert-butyl-2-formyl-5-methylpiperidine-1-carboxylic acid
CID 87201609
2-Tert-butyl-4-(2-oxoethyl)piperidine-1-carboxylic acid
CID 87723160
2-Tert-butyl-4-formyl-2-iodopiperidine-1-carboxylic acid
CID 87799353
2-Butyl-4-formylpiperidine-1-carboxylic acid
CID 87845184
(2R,5S)-2-tert-butyl-3,3,4-trideuterio-2-formyl-5-methylpiperidine-1-carboxylic acid
CID 88548013

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid?
The IUPAC name of 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid (CID 22185326) is 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid is O=CC1(C2CCCCC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid?
The InChIKey is WBHMNCSLGXNCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-10-13(11-4-2-1-3-5-11)6-8-14(9-7-13)12(16)17/h10-11H,1-9H2,(H,16,17).
What are the key properties of 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid?
4-cyclohexyl-4-formylpiperidine-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-formylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22185326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).