2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

C16H25N3O2 — CID 43585625

IUPAC2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18(2)14-7-9-19(10-8-14)16(20)12-21-15-5-3-13(11-17)4-6-15/h3-6,14H,7-12,17H2,1-2H3
InChIKeyVZGFPNKPLCMOLT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (PubChem CID 43585625) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
PubChem CID43585625
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18(2)14-7-9-19(10-8-14)16(20)12-21-15-5-3-13(11-17)4-6-15/h3-6,14H,7-12,17H2,1-2H3
InChIKeyVZGFPNKPLCMOLT-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530186
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
2-[4-(aminomethyl)phenoxy]-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63605026
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
2-[4-(aminomethyl)phenoxy]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63603463
2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
4-[2-[4-(aminomethyl)phenoxy]acetyl]-1-methyl-1,4-diazepan-2-one
CID 102888179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (CID 43585625) is 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is CN(C)C1CCN(C(=O)COc2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The InChIKey is VZGFPNKPLCMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)14-7-9-19(10-8-14)16(20)12-21-15-5-3-13(11-17)4-6-15/h3-6,14H,7-12,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).