4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde

C12H17NO — CID 123528540

IUPAC4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H17NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4,6,10H,1-3,5,7-9H2
InChIKeyOBGOEZRREICHKE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds2

About 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde

4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 123528540) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID123528540
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H17NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4,6,10H,1-3,5,7-9H2
InChIKeyOBGOEZRREICHKE-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 123715072
3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-7-carbaldehyde
CID 24972620
3-piperidin-1-ylcyclobut-2-en-1-one
CID 58237412
3-(azepan-1-yl)cyclobut-2-en-1-one
CID 25057267
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
4-(bromomethyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 135225850
1-(cyclohepten-1-yl)pyrrolidine
CID 586037
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388
4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde
CID 154986715
5-piperidin-1-ylselenophene-2-carbaldehyde
CID 140718533
3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one
CID 592358
(1E)-cyclononene-1-carbaldehyde
CID 22647283

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 123528540) is 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=C(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is OBGOEZRREICHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4,6,10H,1-3,5,7-9H2.
What are the key properties of 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde?
4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 123528540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).