2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal

C14H28N2O — CID 62278515

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-14(2,12-17)11-16-8-6-13(7-9-16)10-15(3)4/h12-13H,5-11H2,1-4H3
InChIKeyLEDIUSFWZRUUHS-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal (PubChem CID 62278515) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal
PubChem CID62278515
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-14(2,12-17)11-16-8-6-13(7-9-16)10-15(3)4/h12-13H,5-11H2,1-4H3
InChIKeyLEDIUSFWZRUUHS-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
2-(azepan-1-ylmethyl)-2-methylbutanal
CID 62276365
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
2-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]butanal
CID 55158758
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 62258867
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal (CID 62278515) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal is CCC(C)(C=O)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal?
The InChIKey is LEDIUSFWZRUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-14(2,12-17)11-16-8-6-13(7-9-16)10-15(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal is sourced from PubChem (CID 62278515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).