(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C17H24FN3O — CID 39058439

IUPAC(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCCC1
InChIInChI=1S/C17H24FN3O/c18-14-6-2-3-7-15(14)20-10-12-21(13-11-20)16(22)17(19)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13,19H2
InChIKeyDOEUOQPGPAYBNJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.14
Rot. Bonds2

About (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 39058439) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID39058439
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCCC1
InChIInChI=1S/C17H24FN3O/c18-14-6-2-3-7-15(14)20-10-12-21(13-11-20)16(22)17(19)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13,19H2
InChIKeyDOEUOQPGPAYBNJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
1-[4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836968
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 39058439) is (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(c3ccccc3F)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DOEUOQPGPAYBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-14-6-2-3-7-15(14)20-10-12-21(13-11-20)16(22)17(19)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13,19H2.
What are the key properties of (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39058439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).