(6R)-6-methylpiperidine-3-carbaldehyde

C7H13NO — CID 163663202

IUPAC(6R)-6-methylpiperidine-3-carbaldehyde
SMILESC[C@@H]1CCC(C=O)CN1
InChIInChI=1S/C7H13NO/c1-6-2-3-7(5-9)4-8-6/h5-8H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyIWDNAPSXRQCFHS-ULUSZKPHSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds1

About (6R)-6-methylpiperidine-3-carbaldehyde

(6R)-6-methylpiperidine-3-carbaldehyde (PubChem CID 163663202) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (6R)-6-methylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-methylpiperidine-3-carbaldehyde
PubChem CID163663202
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(6R)-6-methylpiperidine-3-carbaldehyde
SMILESC[C@@H]1CCC(C=O)CN1
InChIInChI=1S/C7H13NO/c1-6-2-3-7(5-9)4-8-6/h5-8H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyIWDNAPSXRQCFHS-ULUSZKPHSA-N
XLogP0.57
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 ≤ 50.57
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 (6R)-6-methylpiperidine-3-carbaldehyde?
The IUPAC name of (6R)-6-methylpiperidine-3-carbaldehyde (CID 163663202) is (6R)-6-methylpiperidine-3-carbaldehyde.
What is the SMILES notation for (6R)-6-methylpiperidine-3-carbaldehyde?
The canonical SMILES for (6R)-6-methylpiperidine-3-carbaldehyde is C[C@@H]1CCC(C=O)CN1.
What is the InChIKey of (6R)-6-methylpiperidine-3-carbaldehyde?
The InChIKey is IWDNAPSXRQCFHS-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-7(5-9)4-8-6/h5-8H,2-4H2,1H3/t6-,7?/m1/s1.
What are the key properties of (6R)-6-methylpiperidine-3-carbaldehyde?
(6R)-6-methylpiperidine-3-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methylpiperidine-3-carbaldehyde is sourced from PubChem (CID 163663202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).