2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde

C13H16ClNO — CID 105499900

IUPAC2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
SMILESO=CC(c1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C13H16ClNO/c14-13-4-2-1-3-11(13)12(9-16)10-5-7-15-8-6-10/h1-4,9-10,12,15H,5-8H2
InChIKeyITNFWOZSGZTZMR-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde

2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde (PubChem CID 105499900) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
PubChem CID105499900
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
SMILESO=CC(c1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C13H16ClNO/c14-13-4-2-1-3-11(13)12(9-16)10-5-7-15-8-6-10/h1-4,9-10,12,15H,5-8H2
InChIKeyITNFWOZSGZTZMR-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571
2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
CID 88699147
4-[(2-chlorophenyl)-fluoromethyl]azepane
CID 84728201
2-(2-fluorothiophen-3-yl)-2-piperidin-4-ylacetaldehyde
CID 87248403
2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
CID 82388192
3-[(2-chlorophenyl)-isocyanatomethyl]pyrrolidine
CID 105498413
2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde
CID 105471536
2-(1-cyclopentyl-2-oxoethyl)benzenesulfinate
CID 174757997
(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314499
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
4-[(S)-(2-chlorophenoxy)-nitromethyl]piperidine
CID 90763620
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde (CID 105499900) is 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde is O=CC(c1ccccc1Cl)C1CCNCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde?
The InChIKey is ITNFWOZSGZTZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13-4-2-1-3-11(13)12(9-16)10-5-7-15-8-6-10/h1-4,9-10,12,15H,5-8H2.
What are the key properties of 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde?
2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde has a molecular weight of 237.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde is sourced from PubChem (CID 105499900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).