(2S,4R)-2-bromopiperidine-4-carbaldehyde

C6H10BrNO — CID 34175290

IUPAC(2S,4R)-2-bromopiperidine-4-carbaldehyde
SMILESO=C[C@@H]1CCN[C@@H](Br)C1
InChIInChI=1S/C6H10BrNO/c7-6-3-5(4-9)1-2-8-6/h4-6,8H,1-3H2/t5-,6-/m1/s1
InChIKeyOBTVKWZGYAFQFS-PHDIDXHHSA-N
MW192.06 g/mol
LogP0.91
Rot. Bonds1

About (2S,4R)-2-bromopiperidine-4-carbaldehyde

(2S,4R)-2-bromopiperidine-4-carbaldehyde (PubChem CID 34175290) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is (2S,4R)-2-bromopiperidine-4-carbaldehyde.

Molecular Properties

Compound Name(2S,4R)-2-bromopiperidine-4-carbaldehyde
PubChem CID34175290
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name(2S,4R)-2-bromopiperidine-4-carbaldehyde
SMILESO=C[C@@H]1CCN[C@@H](Br)C1
InChIInChI=1S/C6H10BrNO/c7-6-3-5(4-9)1-2-8-6/h4-6,8H,1-3H2/t5-,6-/m1/s1
InChIKeyOBTVKWZGYAFQFS-PHDIDXHHSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-bromopiperidine-4-carbaldehyde?
The IUPAC name of (2S,4R)-2-bromopiperidine-4-carbaldehyde (CID 34175290) is (2S,4R)-2-bromopiperidine-4-carbaldehyde.
What is the SMILES notation for (2S,4R)-2-bromopiperidine-4-carbaldehyde?
The canonical SMILES for (2S,4R)-2-bromopiperidine-4-carbaldehyde is O=C[C@@H]1CCN[C@@H](Br)C1.
What is the InChIKey of (2S,4R)-2-bromopiperidine-4-carbaldehyde?
The InChIKey is OBTVKWZGYAFQFS-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10BrNO/c7-6-3-5(4-9)1-2-8-6/h4-6,8H,1-3H2/t5-,6-/m1/s1.
What are the key properties of (2S,4R)-2-bromopiperidine-4-carbaldehyde?
(2S,4R)-2-bromopiperidine-4-carbaldehyde has a molecular weight of 192.06 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-bromopiperidine-4-carbaldehyde is sourced from PubChem (CID 34175290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).