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

C15H22N2O2 — CID 103796550

IUPAC2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-6-5-9-17(10-12)15(18)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3
InChIKeyPGVIFUXJLMLGKD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds4

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

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 103796550) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID103796550
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-6-5-9-17(10-12)15(18)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3
InChIKeyPGVIFUXJLMLGKD-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

(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (CID 103796550) is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is COCC1CCCN(C(=O)C(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is PGVIFUXJLMLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-11-12-6-5-9-17(10-12)15(18)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3.
What are the key properties of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
2-amino-1-[3-(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-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 103796550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).