1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde

C13H21NO2 — CID 18352871

IUPAC1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h10-12H,1-9H2
InChIKeyJXNFENHXHCBSQA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds2

About 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde

1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde (PubChem CID 18352871) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
PubChem CID18352871
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h10-12H,1-9H2
InChIKeyJXNFENHXHCBSQA-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
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-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[4,8-bis(cyclohexanecarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-cyclohexylmethanone;cycloheptanecarbaldehyde
CID 142113322
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde
CID 55268668

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde (CID 18352871) is 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde is O=CC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde?
The InChIKey is JXNFENHXHCBSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h10-12H,1-9H2.
What are the key properties of 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde?
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde has a molecular weight of 223.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 18352871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).