3-(1-methylpiperidin-3-yl)propanal

C9H17NO — CID 83905184

IUPAC3-(1-methylpiperidin-3-yl)propanal
SMILESCN1CCCC(CCC=O)C1
InChIInChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11/h7,9H,2-6,8H2,1H3
InChIKeyFMKLCTUJKIGDBJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds3

About 3-(1-methylpiperidin-3-yl)propanal

3-(1-methylpiperidin-3-yl)propanal (PubChem CID 83905184) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)propanal.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)propanal
PubChem CID83905184
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-methylpiperidin-3-yl)propanal
SMILESCN1CCCC(CCC=O)C1
InChIInChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11/h7,9H,2-6,8H2,1H3
InChIKeyFMKLCTUJKIGDBJ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
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

3-but-3-enyl-1-methylpiperidine
CID 55275631
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)propanal?
The IUPAC name of 3-(1-methylpiperidin-3-yl)propanal (CID 83905184) is 3-(1-methylpiperidin-3-yl)propanal.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)propanal?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)propanal is CN1CCCC(CCC=O)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)propanal?
The InChIKey is FMKLCTUJKIGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11/h7,9H,2-6,8H2,1H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)propanal?
3-(1-methylpiperidin-3-yl)propanal has a molecular weight of 155.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)propanal is sourced from PubChem (CID 83905184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).