2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde

C9H18N2O — CID 62031139

IUPAC2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
SMILESCNCC1CCCN(CC=O)C1
InChIInChI=1S/C9H18N2O/c1-10-7-9-3-2-4-11(8-9)5-6-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyPPTYBKVYJQQDRL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.12
Rot. Bonds4

About 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde

2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde (PubChem CID 62031139) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
PubChem CID62031139
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
SMILESCNCC1CCCN(CC=O)C1
InChIInChI=1S/C9H18N2O/c1-10-7-9-3-2-4-11(8-9)5-6-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyPPTYBKVYJQQDRL-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.12
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

3-[3-(methylaminomethyl)piperidin-1-yl]propanal
CID 63041305
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
CID 61204024
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
CID 77010197
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde (CID 62031139) is 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde is CNCC1CCCN(CC=O)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde?
The InChIKey is PPTYBKVYJQQDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-7-9-3-2-4-11(8-9)5-6-12/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde?
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 62031139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).