3-[3-(methylaminomethyl)piperidin-1-yl]propanal

C10H20N2O — CID 63041305

IUPAC3-[3-(methylaminomethyl)piperidin-1-yl]propanal
SMILESCNCC1CCCN(CCC=O)C1
InChIInChI=1S/C10H20N2O/c1-11-8-10-4-2-5-12(9-10)6-3-7-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeySBMWNTAMINEULE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds5

About 3-[3-(methylaminomethyl)piperidin-1-yl]propanal

3-[3-(methylaminomethyl)piperidin-1-yl]propanal (PubChem CID 63041305) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)piperidin-1-yl]propanal.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)piperidin-1-yl]propanal
PubChem CID63041305
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[3-(methylaminomethyl)piperidin-1-yl]propanal
SMILESCNCC1CCCN(CCC=O)C1
InChIInChI=1S/C10H20N2O/c1-11-8-10-4-2-5-12(9-10)6-3-7-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeySBMWNTAMINEULE-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
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

2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
CID 61204024
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61206248
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanal
CID 63150721
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
3-(1-methylpiperidin-3-yl)propanal
CID 83905184

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)piperidin-1-yl]propanal?
The IUPAC name of 3-[3-(methylaminomethyl)piperidin-1-yl]propanal (CID 63041305) is 3-[3-(methylaminomethyl)piperidin-1-yl]propanal.
What is the SMILES notation for 3-[3-(methylaminomethyl)piperidin-1-yl]propanal?
The canonical SMILES for 3-[3-(methylaminomethyl)piperidin-1-yl]propanal is CNCC1CCCN(CCC=O)C1.
What is the InChIKey of 3-[3-(methylaminomethyl)piperidin-1-yl]propanal?
The InChIKey is SBMWNTAMINEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-8-10-4-2-5-12(9-10)6-3-7-13/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of 3-[3-(methylaminomethyl)piperidin-1-yl]propanal?
3-[3-(methylaminomethyl)piperidin-1-yl]propanal has a molecular weight of 184.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)piperidin-1-yl]propanal is sourced from PubChem (CID 63041305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).