1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde

C12H21NO2 — CID 62656809

IUPAC1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-7-13(8-6-10)11-3-1-2-4-12(11)15/h9-12,15H,1-8H2
InChIKeyFUHWJGFTPCXRSD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde

1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde (PubChem CID 62656809) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde
PubChem CID62656809
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-7-13(8-6-10)11-3-1-2-4-12(11)15/h9-12,15H,1-8H2
InChIKeyFUHWJGFTPCXRSD-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde (CID 62656809) is 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde is O=CC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde?
The InChIKey is FUHWJGFTPCXRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-5-7-13(8-6-10)11-3-1-2-4-12(11)15/h9-12,15H,1-8H2.
What are the key properties of 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde?
1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde has a molecular weight of 211.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62656809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).