1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde

C13H16FNO — CID 88585135

IUPAC1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde
SMILESCc1cc(F)ccc1N1CCC(C=O)CC1
InChIInChI=1S/C13H16FNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-16)5-7-15/h2-3,8-9,11H,4-7H2,1H3
InChIKeyBRRRDBJBWQWOIN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde

1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde (PubChem CID 88585135) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde
PubChem CID88585135
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde
SMILESCc1cc(F)ccc1N1CCC(C=O)CC1
InChIInChI=1S/C13H16FNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-16)5-7-15/h2-3,8-9,11H,4-7H2,1H3
InChIKeyBRRRDBJBWQWOIN-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde (CID 88585135) is 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde is Cc1cc(F)ccc1N1CCC(C=O)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde?
The InChIKey is BRRRDBJBWQWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-16)5-7-15/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde?
1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 88585135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).