1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one

C22H28N2O2 — CID 119398780

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
SMILESCNCC1CCCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H28N2O2/c1-17(22(25)24-14-6-7-18(16-24)15-23-2)26-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-13,17-18,23H,6-7,14-16H2,1-2H3
InChIKeyDDGGAZKVRGWLRG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.58
Rot. Bonds6

About 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one

1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one (PubChem CID 119398780) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
PubChem CID119398780
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
SMILESCNCC1CCCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H28N2O2/c1-17(22(25)24-14-6-7-18(16-24)15-23-2)26-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-13,17-18,23H,6-7,14-16H2,1-2H3
InChIKeyDDGGAZKVRGWLRG-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 119397025
2-(4-tert-butylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395820
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylsulfanylphenoxy)propan-1-one
CID 119395779
2-(3-bromophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119397803
(2R)-2-(4-bromophenoxy)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124613300
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2-(3,4-difluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396272

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one (CID 119398780) is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one is CNCC1CCCN(C(=O)C(C)Oc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one?
The InChIKey is DDGGAZKVRGWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(22(25)24-14-6-7-18(16-24)15-23-2)26-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-13,17-18,23H,6-7,14-16H2,1-2H3.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one?
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one is sourced from PubChem (CID 119398780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).