1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone

C14H28N2O2 — CID 61244693

IUPAC1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCCCN(C)CC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-4-5-8-15(2)11-13-6-9-16(10-7-13)14(17)12-18-3/h13H,4-12H2,1-3H3
InChIKeyUZGPVXVZDWHVTI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds7

About 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 61244693) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID61244693
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCCCN(C)CC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-4-5-8-15(2)11-13-6-9-16(10-7-13)14(17)12-18-3/h13H,4-12H2,1-3H3
InChIKeyUZGPVXVZDWHVTI-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 86824492
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119134803
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
CID 102778861
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 86824505
(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119851832
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone (CID 61244693) is 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone is CCCCN(C)CC1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is UZGPVXVZDWHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-8-15(2)11-13-6-9-16(10-7-13)14(17)12-18-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 256.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 61244693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).