3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride

C9H17ClN2O2 — CID 175392727

IUPAC3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride
SMILESCl.O=CC1OCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-7-9-11(5-6-13-9)8-1-3-10-4-2-8;/h7-10H,1-6H2;1H
InChIKeyAUWTZAAKEMKCGC-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.02
Rot. Bonds2

About 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride

3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride (PubChem CID 175392727) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride
PubChem CID175392727
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride
SMILESCl.O=CC1OCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-7-9-11(5-6-13-9)8-1-3-10-4-2-8;/h7-10H,1-6H2;1H
InChIKeyAUWTZAAKEMKCGC-UHFFFAOYSA-N
XLogP0.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride (CID 175392727) is 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride is Cl.O=CC1OCCN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride?
The InChIKey is AUWTZAAKEMKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c12-7-9-11(5-6-13-9)8-1-3-10-4-2-8;/h7-10H,1-6H2;1H.
What are the key properties of 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride?
3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,3-oxazolidine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 175392727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).