methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate

C15H22N2O3 — CID 175247187

IUPACmethylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate
SMILESCNOC(=O)C(c1ccccc1)N1CCCCC1CO
InChIInChI=1S/C15H22N2O3/c1-16-20-15(19)14(12-7-3-2-4-8-12)17-10-6-5-9-13(17)11-18/h2-4,7-8,13-14,16,18H,5-6,9-11H2,1H3
InChIKeySISCLVGKTZKJHJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds5

About methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate

methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate (PubChem CID 175247187) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate
PubChem CID175247187
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate
SMILESCNOC(=O)C(c1ccccc1)N1CCCCC1CO
InChIInChI=1S/C15H22N2O3/c1-16-20-15(19)14(12-7-3-2-4-8-12)17-10-6-5-9-13(17)11-18/h2-4,7-8,13-14,16,18H,5-6,9-11H2,1H3
InChIKeySISCLVGKTZKJHJ-UHFFFAOYSA-N
XLogP1.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanethioamide
CID 62779946
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
3-[2-(hydroxymethyl)azepan-1-yl]-3-phenylpropanenitrile
CID 116634770

Frequently Asked Questions

What is the IUPAC name of methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate?
The IUPAC name of methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate (CID 175247187) is methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate.
What is the SMILES notation for methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate?
The canonical SMILES for methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate is CNOC(=O)C(c1ccccc1)N1CCCCC1CO.
What is the InChIKey of methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate?
The InChIKey is SISCLVGKTZKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-20-15(19)14(12-7-3-2-4-8-12)17-10-6-5-9-13(17)11-18/h2-4,7-8,13-14,16,18H,5-6,9-11H2,1H3.
What are the key properties of methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate?
methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate has a molecular weight of 278.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate is sourced from PubChem (CID 175247187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).