1-(2-chlorophenyl)piperidine-4-carbaldehyde

C12H14ClNO — CID 143235350

IUPAC1-(2-chlorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2
InChIKeyIEIKTFPZHGVKLV-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-chlorophenyl)piperidine-4-carbaldehyde

1-(2-chlorophenyl)piperidine-4-carbaldehyde (PubChem CID 143235350) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-chlorophenyl)piperidine-4-carbaldehyde
PubChem CID143235350
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(2-chlorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2
InChIKeyIEIKTFPZHGVKLV-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carbaldehyde
CID 62663099
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
CID 28603686
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)-4-methyl-1,5-diazocane
CID 117014582
1-[5-bromo-2-(trifluoromethyl)phenyl]piperidine-4-carbaldehyde
CID 107290037
(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
CID 92951788
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
4-(3-chloro-2-formylphenyl)piperazine-1-carbaldehyde
CID 122470945

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-chlorophenyl)piperidine-4-carbaldehyde (CID 143235350) is 1-(2-chlorophenyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-chlorophenyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-chlorophenyl)piperidine-4-carbaldehyde is O=CC1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)piperidine-4-carbaldehyde?
The InChIKey is IEIKTFPZHGVKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)14-7-5-10(9-15)6-8-14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)piperidine-4-carbaldehyde?
1-(2-chlorophenyl)piperidine-4-carbaldehyde has a molecular weight of 223.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 143235350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).