4-methylpiperidine-3-carbaldehyde

C7H13NO — CID 135141576

IUPAC4-methylpiperidine-3-carbaldehyde
SMILESCC1CCNCC1C=O
InChIInChI=1S/C7H13NO/c1-6-2-3-8-4-7(6)5-9/h5-8H,2-4H2,1H3
InChIKeyNTIKFIVLVZUSPM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.43
Rot. Bonds1

About 4-methylpiperidine-3-carbaldehyde

4-methylpiperidine-3-carbaldehyde (PubChem CID 135141576) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name4-methylpiperidine-3-carbaldehyde
PubChem CID135141576
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methylpiperidine-3-carbaldehyde
SMILESCC1CCNCC1C=O
InChIInChI=1S/C7H13NO/c1-6-2-3-8-4-7(6)5-9/h5-8H,2-4H2,1H3
InChIKeyNTIKFIVLVZUSPM-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine-3-carbaldehyde?
The IUPAC name of 4-methylpiperidine-3-carbaldehyde (CID 135141576) is 4-methylpiperidine-3-carbaldehyde.
What is the SMILES notation for 4-methylpiperidine-3-carbaldehyde?
The canonical SMILES for 4-methylpiperidine-3-carbaldehyde is CC1CCNCC1C=O.
What is the InChIKey of 4-methylpiperidine-3-carbaldehyde?
The InChIKey is NTIKFIVLVZUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-8-4-7(6)5-9/h5-8H,2-4H2,1H3.
What are the key properties of 4-methylpiperidine-3-carbaldehyde?
4-methylpiperidine-3-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine-3-carbaldehyde is sourced from PubChem (CID 135141576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).