2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C17H26FN3O — CID 135253062

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C17H26FN3O/c1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18/h5-8,13,16H,9-12H2,1-4H3
InChIKeyNPFDAPXPCBDELZ-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.98
Rot. Bonds4

About 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 135253062) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID135253062
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C17H26FN3O/c1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18/h5-8,13,16H,9-12H2,1-4H3
InChIKeyNPFDAPXPCBDELZ-UHFFFAOYSA-N
XLogP1.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 159536435
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 72853718
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733923
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 135253062) is 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NPFDAPXPCBDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 307.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 135253062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).