carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde

C12H24N2O3 — CID 167627373

IUPACcarbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde
SMILESC1CCNCC1.O=C=O.O=CN1CCCCC1.[H][H]
InChIInChI=1S/C6H11NO.C5H11N.CO2.H2/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;2-1-3;/h6H,1-5H2;6H,1-5H2;;1H
InChIKeyNHMCXKFXWGLLPA-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.05
Rot. Bonds1

About carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde

carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde (PubChem CID 167627373) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde.

Molecular Properties

Compound Namecarbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde
PubChem CID167627373
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namecarbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde
SMILESC1CCNCC1.O=C=O.O=CN1CCCCC1.[H][H]
InChIInChI=1S/C6H11NO.C5H11N.CO2.H2/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;2-1-3;/h6H,1-5H2;6H,1-5H2;;1H
InChIKeyNHMCXKFXWGLLPA-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidinopropyl) carboxamide
CID 64992831
Piperidine-1-carboselenoate;piperidin-1-ium
CID 14383541
Piperidine-1-carbothioate;piperidin-1-ium
CID 88836625
Piperidinium 1-piperidinecarboxylate
CID 129826698
N-methyl-piperidinium diformate
CID 134716274
Piperidine;piperidine-1-carboxylic acid
CID 15122514
Piperidine;piperidin-1-ium;carbamate
CID 19375390
Methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
CID 22745313
Bis(piperidin-1-ium);carbonate
CID 69100409
1-Piperidin-4-ylpiperidin-1-ium-1-carboxylic acid
CID 69920100
Piperazine;piperidine-1-carboxylic acid
CID 70415704
Piperidin-1-ylmethyl piperidine-1-carboxylate
CID 71091864

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde?
The IUPAC name of carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde (CID 167627373) is carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde.
What is the SMILES notation for carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde?
The canonical SMILES for carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde is C1CCNCC1.O=C=O.O=CN1CCCCC1.[H][H].
What is the InChIKey of carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde?
The InChIKey is NHMCXKFXWGLLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H11N.CO2.H2/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;2-1-3;/h6H,1-5H2;6H,1-5H2;;1H.
What are the key properties of carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde?
carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde has a molecular weight of 244.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde is sourced from PubChem (CID 167627373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).