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

C16H24N2O2 — CID 119396607

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCNCC1CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-10-15-8-5-9-18(11-15)16(19)13-20-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyAHPGTPBHRCMDDA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds6

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

1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 119396607) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID119396607
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCNCC1CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-10-15-8-5-9-18(11-15)16(19)13-20-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyAHPGTPBHRCMDDA-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone (CID 119396607) is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone is CNCC1CCCN(C(=O)COCc2ccccc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is AHPGTPBHRCMDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-10-15-8-5-9-18(11-15)16(19)13-20-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone?
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 276.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 119396607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).