2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride

C12H15ClFNO — CID 175797855

IUPAC2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(C2CCCNC2)cc1F
InChIInChI=1S/C12H14FNO.ClH/c13-12-6-9(3-4-11(12)8-15)10-2-1-5-14-7-10;/h3-4,6,8,10,14H,1-2,5,7H2;1H
InChIKeyKVGPSAKCDAXGHL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.53
Rot. Bonds2

About 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride

2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride (PubChem CID 175797855) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
PubChem CID175797855
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(C2CCCNC2)cc1F
InChIInChI=1S/C12H14FNO.ClH/c13-12-6-9(3-4-11(12)8-15)10-2-1-5-14-7-10;/h3-4,6,8,10,14H,1-2,5,7H2;1H
InChIKeyKVGPSAKCDAXGHL-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.53
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

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CID 177364762
2-fluoro-4-piperidin-3-ylphenol
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CID 93478585
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
3-piperidin-3-ylbenzenethiol
CID 116988736
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
4-[(2-fluoro-4-piperidin-3-ylphenyl)methyl]morpholine
CID 117446553

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride?
The IUPAC name of 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride (CID 175797855) is 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride.
What is the SMILES notation for 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride?
The canonical SMILES for 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride is Cl.O=Cc1ccc(C2CCCNC2)cc1F.
What is the InChIKey of 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride?
The InChIKey is KVGPSAKCDAXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-12-6-9(3-4-11(12)8-15)10-2-1-5-14-7-10;/h3-4,6,8,10,14H,1-2,5,7H2;1H.
What are the key properties of 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride?
2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride is sourced from PubChem (CID 175797855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).