2-methylpiperidine-1-carbaldehyde

C7H13NO — CID 13260923

IUPAC2-methylpiperidine-1-carbaldehyde
SMILESCC1CCCCN1C=O
InChIInChI=1S/C7H13NO/c1-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyNUXXCAUMTRLOKX-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds1

About 2-methylpiperidine-1-carbaldehyde

2-methylpiperidine-1-carbaldehyde (PubChem CID 13260923) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methylpiperidine-1-carbaldehyde
PubChem CID13260923
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methylpiperidine-1-carbaldehyde
SMILESCC1CCCCN1C=O
InChIInChI=1S/C7H13NO/c1-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyNUXXCAUMTRLOKX-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidine-1-carbaldehyde?
The IUPAC name of 2-methylpiperidine-1-carbaldehyde (CID 13260923) is 2-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2-methylpiperidine-1-carbaldehyde?
The canonical SMILES for 2-methylpiperidine-1-carbaldehyde is CC1CCCCN1C=O.
What is the InChIKey of 2-methylpiperidine-1-carbaldehyde?
The InChIKey is NUXXCAUMTRLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-methylpiperidine-1-carbaldehyde?
2-methylpiperidine-1-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 13260923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).