2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

C15H22N2O2 — CID 63979773

IUPAC2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyVAYSMXCJVNSCCQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 63979773) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID63979773
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyVAYSMXCJVNSCCQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 63972715
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (CID 63979773) is 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is COCC1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is VAYSMXCJVNSCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3.
What are the key properties of 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 63979773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).