(2R)-1-methylpiperidine-2-carbaldehyde

C7H13NO — CID 18391375

IUPAC(2R)-1-methylpiperidine-2-carbaldehyde
SMILESCN1CCCC[C@@H]1C=O
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyHBQKERHWQDYYEM-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds1

About (2R)-1-methylpiperidine-2-carbaldehyde

(2R)-1-methylpiperidine-2-carbaldehyde (PubChem CID 18391375) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2R)-1-methylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-methylpiperidine-2-carbaldehyde
PubChem CID18391375
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2R)-1-methylpiperidine-2-carbaldehyde
SMILESCN1CCCC[C@@H]1C=O
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyHBQKERHWQDYYEM-SSDOTTSWSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
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 (2R)-1-methylpiperidine-2-carbaldehyde?
The IUPAC name of (2R)-1-methylpiperidine-2-carbaldehyde (CID 18391375) is (2R)-1-methylpiperidine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-methylpiperidine-2-carbaldehyde?
The canonical SMILES for (2R)-1-methylpiperidine-2-carbaldehyde is CN1CCCC[C@@H]1C=O.
What is the InChIKey of (2R)-1-methylpiperidine-2-carbaldehyde?
The InChIKey is HBQKERHWQDYYEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-methylpiperidine-2-carbaldehyde?
(2R)-1-methylpiperidine-2-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylpiperidine-2-carbaldehyde is sourced from PubChem (CID 18391375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).