piperidine;piperidine-1-carbaldehyde

C11H22N2O — CID 161371391

IUPACpiperidine;piperidine-1-carbaldehyde
SMILESC1CCNCC1.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C5H11N/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h6H,1-5H2;6H,1-5H2
InChIKeyVQMRBUGDCZGLPN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds1

About piperidine;piperidine-1-carbaldehyde

piperidine;piperidine-1-carbaldehyde (PubChem CID 161371391) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is piperidine;piperidine-1-carbaldehyde.

Molecular Properties

Compound Namepiperidine;piperidine-1-carbaldehyde
PubChem CID161371391
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Namepiperidine;piperidine-1-carbaldehyde
SMILESC1CCNCC1.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C5H11N/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h6H,1-5H2;6H,1-5H2
InChIKeyVQMRBUGDCZGLPN-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-1-ylethyl)formamide
CID 21957372
N-(3-piperidinopropyl) carboxamide
CID 64992831
1-(3-Piperidin-1-ylpropyl)-1,3-diazinan-2-one
CID 44373963
N-[3-(4-fluoropiperidin-1-yl)propyl]formamide
CID 87596521
N-[3-(3-fluoropiperidin-1-yl)propyl]formamide
CID 87596522
Piperidine-1-carboselenoate;piperidin-1-ium
CID 14383541
Piperidine-1-carbothioate;piperidin-1-ium
CID 88836625
Piperidinium 1-piperidinecarboxylate
CID 129826698
piperidine;piperidine-1-carbothioic S-acid
CID 13753276
Piperidine;piperidine-1-carboxylic acid
CID 15122514
N-(1-butylpiperidin-4-yl)formamide
CID 18695593
Ethanol;piperidine;piperidine-1-carbaldehyde
CID 20318574

Frequently Asked Questions

What is the IUPAC name of piperidine;piperidine-1-carbaldehyde?
The IUPAC name of piperidine;piperidine-1-carbaldehyde (CID 161371391) is piperidine;piperidine-1-carbaldehyde.
What is the SMILES notation for piperidine;piperidine-1-carbaldehyde?
The canonical SMILES for piperidine;piperidine-1-carbaldehyde is C1CCNCC1.O=CN1CCCCC1.
What is the InChIKey of piperidine;piperidine-1-carbaldehyde?
The InChIKey is VQMRBUGDCZGLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H11N/c8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h6H,1-5H2;6H,1-5H2.
What are the key properties of piperidine;piperidine-1-carbaldehyde?
piperidine;piperidine-1-carbaldehyde has a molecular weight of 198.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;piperidine-1-carbaldehyde is sourced from PubChem (CID 161371391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).