2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride

C13H18ClNO — CID 88699147

IUPAC2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
SMILESCl.O=CC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17NO.ClH/c15-10-13(11-4-2-1-3-5-11)12-6-8-14-9-7-12;/h1-5,10,12-14H,6-9H2;1H
InChIKeyOVINDAMGXPFALM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.39
Rot. Bonds3

About 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride

2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride (PubChem CID 88699147) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
PubChem CID88699147
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
SMILESCl.O=CC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17NO.ClH/c15-10-13(11-4-2-1-3-5-11)12-6-8-14-9-7-12;/h1-5,10,12-14H,6-9H2;1H
InChIKeyOVINDAMGXPFALM-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.39
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 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride?
The IUPAC name of 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride (CID 88699147) is 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride.
What is the SMILES notation for 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride?
The canonical SMILES for 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride is Cl.O=CC(c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride?
The InChIKey is OVINDAMGXPFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c15-10-13(11-4-2-1-3-5-11)12-6-8-14-9-7-12;/h1-5,10,12-14H,6-9H2;1H.
What are the key properties of 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride?
2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride is sourced from PubChem (CID 88699147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).