1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde

C12H17NO — CID 174841682

IUPAC1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H17NO/c14-11-12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7,11H,2,5-6,8-10H2
InChIKeyAEKWDJPJQJGRCN-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds2

About 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde

1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 174841682) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID174841682
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H17NO/c14-11-12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7,11H,2,5-6,8-10H2
InChIKeyAEKWDJPJQJGRCN-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
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-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde (CID 174841682) is 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde is O=CC1(N2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is AEKWDJPJQJGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-11-12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7,11H,2,5-6,8-10H2.
What are the key properties of 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde?
1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 191.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 174841682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).