1-methylpiperidine-4-carbaldehyde;hydrobromide

C7H14BrNO — CID 175478635

IUPAC1-methylpiperidine-4-carbaldehyde;hydrobromide
SMILESBr.CN1CCC(C=O)CC1
InChIInChI=1S/C7H13NO.BrH/c1-8-4-2-7(6-9)3-5-8;/h6-7H,2-5H2,1H3;1H
InChIKeySCELYUICPXVSPB-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.11
Rot. Bonds1

About 1-methylpiperidine-4-carbaldehyde;hydrobromide

1-methylpiperidine-4-carbaldehyde;hydrobromide (PubChem CID 175478635) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 1-methylpiperidine-4-carbaldehyde;hydrobromide.

Molecular Properties

Compound Name1-methylpiperidine-4-carbaldehyde;hydrobromide
PubChem CID175478635
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name1-methylpiperidine-4-carbaldehyde;hydrobromide
SMILESBr.CN1CCC(C=O)CC1
InChIInChI=1S/C7H13NO.BrH/c1-8-4-2-7(6-9)3-5-8;/h6-7H,2-5H2,1H3;1H
InChIKeySCELYUICPXVSPB-UHFFFAOYSA-N
XLogP1.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.11
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-methylazepane-4-carbaldehyde
CID 82418035
1-methylpyrrolidine-3-carbaldehyde
CID 19841633
1-methyl-7-oxoazepane-4-carbaldehyde
CID 144521999
1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
CID 143843368
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
CID 159863431
4-ethenyl-1-methylpiperidine;molecular hydrogen
CID 143787743
1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
1-decylpiperidine-4-carbaldehyde
CID 62654458
4-(cyclohexylidenemethyl)-1-methylpiperidine
CID 142178212
1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
CID 57260487

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-4-carbaldehyde;hydrobromide?
The IUPAC name of 1-methylpiperidine-4-carbaldehyde;hydrobromide (CID 175478635) is 1-methylpiperidine-4-carbaldehyde;hydrobromide.
What is the SMILES notation for 1-methylpiperidine-4-carbaldehyde;hydrobromide?
The canonical SMILES for 1-methylpiperidine-4-carbaldehyde;hydrobromide is Br.CN1CCC(C=O)CC1.
What is the InChIKey of 1-methylpiperidine-4-carbaldehyde;hydrobromide?
The InChIKey is SCELYUICPXVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.BrH/c1-8-4-2-7(6-9)3-5-8;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 1-methylpiperidine-4-carbaldehyde;hydrobromide?
1-methylpiperidine-4-carbaldehyde;hydrobromide has a molecular weight of 208.10 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-4-carbaldehyde;hydrobromide is sourced from PubChem (CID 175478635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).