1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one

C16H24N2O3 — CID 115963342

IUPAC1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
SMILESCOC1CCN(C(=O)CCOc2ccccc2)C(CN)C1
InChIInChI=1S/C16H24N2O3/c1-20-15-7-9-18(13(11-15)12-17)16(19)8-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3
InChIKeyIVOPKSMUORUZRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds6

About 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 115963342) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID115963342
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
SMILESCOC1CCN(C(=O)CCOc2ccccc2)C(CN)C1
InChIInChI=1S/C16H24N2O3/c1-20-15-7-9-18(13(11-15)12-17)16(19)8-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3
InChIKeyIVOPKSMUORUZRI-UHFFFAOYSA-N
XLogP1.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 99714963
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120613580
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 115963335
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one (CID 115963342) is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one is COC1CCN(C(=O)CCOc2ccccc2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is IVOPKSMUORUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15-7-9-18(13(11-15)12-17)16(19)8-10-21-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one?
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 115963342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).