[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone

C17H27N3O2 — CID 119489592

IUPAC[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2OCCN(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-18-14-7-6-10-20(13-14)17(21)15-8-4-5-9-16(15)22-12-11-19(2)3/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3
InChIKeyUBECRBYKPUVOSE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.45
Rot. Bonds6

About [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone

[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119489592) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119489592
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2OCCN(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-18-14-7-6-10-20(13-14)17(21)15-8-4-5-9-16(15)22-12-11-19(2)3/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3
InChIKeyUBECRBYKPUVOSE-UHFFFAOYSA-N
XLogP1.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124688335
[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119492510
[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 92615923
(3S,4S)-1-[2-[2-(dimethylamino)ethoxy]benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950342
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487770
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607008
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119489592) is [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccccc2OCCN(C)C)C1.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is UBECRBYKPUVOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-14-7-6-10-20(13-14)17(21)15-8-4-5-9-16(15)22-12-11-19(2)3/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119489592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).