4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide

C15H22FN3O2 — CID 110889743

IUPAC4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-17(2)15(21)19-9-7-18(8-10-19)11-14(20)12-5-3-4-6-13(12)16/h3-6,14,20H,7-11H2,1-2H3
InChIKeyHAFXPLAYAJRTNM-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.16
Rot. Bonds3

About 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110889743) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110889743
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-17(2)15(21)19-9-7-18(8-10-19)11-14(20)12-5-3-4-6-13(12)16/h3-6,14,20H,7-11H2,1-2H3
InChIKeyHAFXPLAYAJRTNM-UHFFFAOYSA-N
XLogP1.16
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110887602
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110889743) is 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is HAFXPLAYAJRTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-17(2)15(21)19-9-7-18(8-10-19)11-14(20)12-5-3-4-6-13(12)16/h3-6,14,20H,7-11H2,1-2H3.
What are the key properties of 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110889743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).