3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal

C10H20N2O — CID 153349353

IUPAC3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal
SMILESCNC1(CCC=O)CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-11-10(4-3-9-13)5-7-12(2)8-6-10/h9,11H,3-8H2,1-2H3
InChIKeyLKPPHNAGDHGYKO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds4

About 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal

3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal (PubChem CID 153349353) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal.

Molecular Properties

Compound Name3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal
PubChem CID153349353
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal
SMILESCNC1(CCC=O)CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-11-10(4-3-9-13)5-7-12(2)8-6-10/h9,11H,3-8H2,1-2H3
InChIKeyLKPPHNAGDHGYKO-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(methylamino)cyclopropyl]butanal
CID 144733002
2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
CID 65236604
[1-methyl-3-(methylamino)pyrrolidin-3-yl]methanol
CID 62975688
3-(1-methylcyclopropyl)propanal
CID 22421116
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide
CID 154671249
3-(1-methylpiperidin-4-yl)oxypropanal
CID 87150334
1-[1-methyl-4-(methylamino)piperidin-4-yl]ethanone
CID 121279965
4-(aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate
CID 153405055
ethyl 1-methyl-2-(3-oxopropyl)pyrrolidine-2-carboxylate
CID 154990697
6-(4-methylpiperazin-1-yl)hexanal
CID 19781527
N,3,9-trimethyl-3-azaspiro[5.5]undecan-9-amine
CID 91128574

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal?
The IUPAC name of 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal (CID 153349353) is 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal.
What is the SMILES notation for 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal?
The canonical SMILES for 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal is CNC1(CCC=O)CCN(C)CC1.
What is the InChIKey of 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal?
The InChIKey is LKPPHNAGDHGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-10(4-3-9-13)5-7-12(2)8-6-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal?
3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal has a molecular weight of 184.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal is sourced from PubChem (CID 153349353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).