2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one

C17H26N2O2 — CID 63972715

IUPAC2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCOCC1CCN(C(=O)C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-13-15-7-9-19(10-8-15)17(20)16(12-18)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3
InChIKeyQCXLTOPCZVJVDL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.69
Rot. Bonds6

About 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one

2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 63972715) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID63972715
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCOCC1CCN(C(=O)C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-13-15-7-9-19(10-8-15)17(20)16(12-18)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3
InChIKeyQCXLTOPCZVJVDL-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 102956893
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione
CID 66082928
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
4-[2-(aminomethyl)-3-phenylpropanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888728
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 63972715) is 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one is COCC1CCN(C(=O)C(CN)Cc2ccccc2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QCXLTOPCZVJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-13-15-7-9-19(10-8-15)17(20)16(12-18)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3.
What are the key properties of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 63972715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).