2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

C17H24FN3O2 — CID 120796792

IUPAC2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCOCC1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)20-7-9-21(10-8-20)17(22)16(19)13-5-11-23-12-6-13/h1-4,13,16H,5-12,19H2
InChIKeyDIWPHCPBJRLORC-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120796792) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120796792
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCOCC1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)20-7-9-21(10-8-20)17(22)16(19)13-5-11-23-12-6-13/h1-4,13,16H,5-12,19H2
InChIKeyDIWPHCPBJRLORC-UHFFFAOYSA-N
XLogP1.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120791567
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
1-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788437
2-amino-1-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120801423
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 120799696
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone
CID 120793506
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 120793505
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 75389640

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120796792) is 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is DIWPHCPBJRLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)20-7-9-21(10-8-20)17(22)16(19)13-5-11-23-12-6-13/h1-4,13,16H,5-12,19H2.
What are the key properties of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 321.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).