2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one

C16H24N2O2 — CID 106586749

IUPAC2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCOCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(17,14-8-4-3-5-9-14)15(19)18-10-6-7-13(11-18)12-20-2/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3
InChIKeyAMPKHHZCPUQKDV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 106586749) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID106586749
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCOCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(17,14-8-4-3-5-9-14)15(19)18-10-6-7-13(11-18)12-20-2/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3
InChIKeyAMPKHHZCPUQKDV-UHFFFAOYSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 106586749) is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one is COCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is AMPKHHZCPUQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(17,14-8-4-3-5-9-14)15(19)18-10-6-7-13(11-18)12-20-2/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3.
What are the key properties of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 106586749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).